smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000262251412 668923371 /nfs/dbraw/zinc/92/33/71/668923371.db2.gz CAIHABBOHXVGGY-CYBMUJFWSA-N 2 0 338.456 -1.112 20 30 EAEDRP C[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000262251413 668923023 /nfs/dbraw/zinc/92/30/23/668923023.db2.gz CAIHABBOHXVGGY-ZDUSSCGKSA-N 2 0 338.456 -1.112 20 30 EAEDRP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262374259 668937753 /nfs/dbraw/zinc/93/77/53/668937753.db2.gz JCVGABBDWIQAGP-KBPBESRZSA-N 2 0 343.497 -1.024 20 30 EAEDRP CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262374264 668938326 /nfs/dbraw/zinc/93/83/26/668938326.db2.gz JCVGABBDWIQAGP-UONOGXRCSA-N 2 0 343.497 -1.024 20 30 EAEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(c2ncccn2)CC1 ZINC000262792826 374614675 /nfs/dbraw/zinc/61/46/75/374614675.db2.gz ONPHFLVWLHOQKA-AWEZNQCLSA-N 2 0 330.440 -1.087 20 30 EAEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(c2ncccn2)CC1 ZINC000262792827 374614221 /nfs/dbraw/zinc/61/42/21/374614221.db2.gz ONPHFLVWLHOQKA-CQSZACIVSA-N 2 0 330.440 -1.087 20 30 EAEDRP CN1CCN(C(=O)CCNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000329357355 374731735 /nfs/dbraw/zinc/73/17/35/374731735.db2.gz HHNNYYIBVYDXCQ-AWEZNQCLSA-N 2 0 340.472 -1.100 20 30 EAEDRP CN1CCN(C(=O)CCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000329357360 374731024 /nfs/dbraw/zinc/73/10/24/374731024.db2.gz HHNNYYIBVYDXCQ-CQSZACIVSA-N 2 0 340.472 -1.100 20 30 EAEDRP C[C@@H]1CN(CC#CCN2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000342167567 374668498 /nfs/dbraw/zinc/66/84/98/374668498.db2.gz NLLBNLFBEAKWBM-HDICACEKSA-N 2 0 338.496 -1.013 20 30 EAEDRP C[C@@H]1CN(CC#CCN2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000342167568 374668698 /nfs/dbraw/zinc/66/86/98/374668698.db2.gz NLLBNLFBEAKWBM-QZTJIDSGSA-N 2 0 338.496 -1.013 20 30 EAEDRP C[C@H]1CN(CC#CCN2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000342167569 374669247 /nfs/dbraw/zinc/66/92/47/374669247.db2.gz NLLBNLFBEAKWBM-ROUUACIJSA-N 2 0 338.496 -1.013 20 30 EAEDRP C#CCN1CCN(C(=O)CN2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000490802792 374408890 /nfs/dbraw/zinc/40/88/90/374408890.db2.gz FUTLRSSWAQGMQR-UHFFFAOYSA-N 2 0 349.479 -1.140 20 30 EAEDRP C[C@@H]1C[NH+](CCO)CCN1CC#CCN1CC[N@@H+](CCO)C[C@@H]1C ZINC000625465232 374306005 /nfs/dbraw/zinc/30/60/05/374306005.db2.gz XXCAWPSCTKBETC-HDICACEKSA-N 2 0 338.496 -1.013 20 30 EAEDRP C[C@@H]1C[NH+](CCO)CCN1CC#CCN1CC[N@@H+](CCO)C[C@H]1C ZINC000625465247 374304755 /nfs/dbraw/zinc/30/47/55/374304755.db2.gz XXCAWPSCTKBETC-QZTJIDSGSA-N 2 0 338.496 -1.013 20 30 EAEDRP C[C@H]1C[NH+](CCO)CCN1CC#CCN1CC[N@@H+](CCO)C[C@@H]1C ZINC000625465250 374304447 /nfs/dbraw/zinc/30/44/47/374304447.db2.gz XXCAWPSCTKBETC-ROUUACIJSA-N 2 0 338.496 -1.013 20 30 EAEDRP O[C@@H]1C[C@H]2CN(CC#CCN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829152 415259423 /nfs/dbraw/zinc/25/94/23/415259423.db2.gz AONQZFCJDPVPIC-WNRNVDISSA-N 2 0 334.464 -1.509 20 30 EAEDRP C=C[C@H](CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](C=C)CO)CC1 ZINC000662167364 415350217 /nfs/dbraw/zinc/35/02/17/415350217.db2.gz BFQLXEURSMFFGR-ZIAGYGMSSA-N 2 0 340.424 -2.070 20 30 EAEDRP C#CCN(CC(=O)NC[C@H]1CC[N@H+]1C)CC(=O)NC[C@@H]1CC[NH+]1C ZINC000928571454 668851773 /nfs/dbraw/zinc/85/17/73/668851773.db2.gz NAFRZSBLHJOEAT-GASCZTMLSA-N 2 0 335.452 -1.438 20 30 EAEDRP C#CCN(CC(=O)NC[C@@H]1CC[NH+]1C)CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928571455 670112316 /nfs/dbraw/zinc/11/23/16/670112316.db2.gz NAFRZSBLHJOEAT-GJZGRUSLSA-N 2 0 335.452 -1.438 20 30 EAEDRP C#CCN(CC(=O)NC[C@H]1CC[NH+]1C)CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928571456 670112468 /nfs/dbraw/zinc/11/24/68/670112468.db2.gz NAFRZSBLHJOEAT-HUUCEWRRSA-N 2 0 335.452 -1.438 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946925055 669616434 /nfs/dbraw/zinc/61/64/34/669616434.db2.gz MAPSUCQTFOCCRH-CABCVRRESA-N 2 0 348.447 -1.084 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946925056 669615994 /nfs/dbraw/zinc/61/59/94/669615994.db2.gz MAPSUCQTFOCCRH-GJZGRUSLSA-N 2 0 348.447 -1.084 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968956463 672432710 /nfs/dbraw/zinc/43/27/10/672432710.db2.gz MJFJWMYRWUNPJR-KGLIPLIRSA-N 2 0 347.419 -1.174 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 ZINC000993854749 669897001 /nfs/dbraw/zinc/89/70/01/669897001.db2.gz INMOHQMNGYTCKV-INIZCTEOSA-N 2 0 348.447 -1.011 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 ZINC000993854750 669897033 /nfs/dbraw/zinc/89/70/33/669897033.db2.gz INMOHQMNGYTCKV-MRXNPFEDSA-N 2 0 348.447 -1.011 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043649526 673635145 /nfs/dbraw/zinc/63/51/45/673635145.db2.gz NJJJLPSZGTXSTF-AWEZNQCLSA-N 2 0 336.436 -1.275 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1 ZINC001070333699 671915899 /nfs/dbraw/zinc/91/58/99/671915899.db2.gz POGRJIVUKKEAEU-CVEARBPZSA-N 2 0 346.435 -1.043 20 30 EAEDRP C[NH+](C)CCC(=O)N1CCC([N@H+](CCO)CC(=O)NCC#N)CC1 ZINC001098466754 786748906 /nfs/dbraw/zinc/74/89/06/786748906.db2.gz WYPLDLODZZULJI-UHFFFAOYSA-N 2 0 339.440 -1.137 20 30 EAEDRP C#CCNC(=O)C[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467502 786752974 /nfs/dbraw/zinc/75/29/74/786752974.db2.gz GZOJUZNIQLGYTI-UHFFFAOYSA-N 2 0 338.452 -1.027 20 30 EAEDRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100867302 792464373 /nfs/dbraw/zinc/46/43/73/792464373.db2.gz PDULNYAIWIMIMZ-UHFFFAOYSA-N 2 0 325.413 -1.311 20 30 EAEDRP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102510888 792546766 /nfs/dbraw/zinc/54/67/66/792546766.db2.gz ABXMQYPGRSZPRL-ZIAGYGMSSA-N 2 0 339.440 -1.112 20 30 EAEDRP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511115 792546243 /nfs/dbraw/zinc/54/62/43/792546243.db2.gz JYTXYIDLNOXSDO-HUUCEWRRSA-N 2 0 338.452 -1.002 20 30 EAEDRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106878524 786027245 /nfs/dbraw/zinc/02/72/45/786027245.db2.gz QDBOXYPEXXKRMK-ZIAGYGMSSA-N 2 0 339.440 -1.112 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878537 786027479 /nfs/dbraw/zinc/02/74/79/786027479.db2.gz QKEVXAKUKCONSO-HUUCEWRRSA-N 2 0 338.452 -1.002 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125825 792617315 /nfs/dbraw/zinc/61/73/15/792617315.db2.gz CPFHAECRBSAWAI-NYTXWWLZSA-N 2 0 336.436 -1.251 20 30 EAEDRP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125826 792617552 /nfs/dbraw/zinc/61/75/52/792617552.db2.gz CPFHAECRBSAWAI-TTZDDIAXSA-N 2 0 336.436 -1.251 20 30 EAEDRP C[C@H](O)C[NH+]1CCN(CC#CCN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001117068794 792681000 /nfs/dbraw/zinc/68/10/00/792681000.db2.gz PDWRJAZFOJZMRN-ROUUACIJSA-N 2 0 338.496 -1.013 20 30 EAEDRP C#CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC001119770380 792796816 /nfs/dbraw/zinc/79/68/16/792796816.db2.gz SUZIZEUJMXJPGE-INIZCTEOSA-N 2 0 349.479 -1.096 20 30 EAEDRP C#CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC001119770383 792797406 /nfs/dbraw/zinc/79/74/06/792797406.db2.gz SUZIZEUJMXJPGE-MRXNPFEDSA-N 2 0 349.479 -1.096 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563517 786033832 /nfs/dbraw/zinc/03/38/32/786033832.db2.gz ZLARYKJYURMORF-CYBMUJFWSA-N 2 0 334.424 -1.098 20 30 EAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563519 786033719 /nfs/dbraw/zinc/03/37/19/786033719.db2.gz ZLARYKJYURMORF-ZDUSSCGKSA-N 2 0 334.424 -1.098 20 30 EAEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363468 786573668 /nfs/dbraw/zinc/57/36/68/786573668.db2.gz GOVIZXRPIIOTLW-AWEZNQCLSA-N 2 0 337.424 -1.025 20 30 EAEDRP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363469 786574348 /nfs/dbraw/zinc/57/43/48/786574348.db2.gz GOVIZXRPIIOTLW-CQSZACIVSA-N 2 0 337.424 -1.025 20 30 EAEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992030 786896603 /nfs/dbraw/zinc/89/66/03/786896603.db2.gz IQLOWDKIYOWPFP-KGLIPLIRSA-N 2 0 349.439 -1.127 20 30 EAEDRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129992150 786898081 /nfs/dbraw/zinc/89/80/81/786898081.db2.gz NLNPQTCXYKTILA-OLZOCXBDSA-N 2 0 348.411 -1.789 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992218 786899040 /nfs/dbraw/zinc/89/90/40/786899040.db2.gz SKIDBPMLGWOXSH-KGLIPLIRSA-N 2 0 347.423 -1.679 20 30 EAEDRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130230844 786921635 /nfs/dbraw/zinc/92/16/35/786921635.db2.gz XTZRMFPZACPBDX-UHFFFAOYSA-N 2 0 325.413 -1.310 20 30 EAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521705 787058742 /nfs/dbraw/zinc/05/87/42/787058742.db2.gz CZRZLNIYKLRNNW-PEUXKQIOSA-N 2 0 334.420 -1.307 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521706 787060883 /nfs/dbraw/zinc/06/08/83/787060883.db2.gz CZRZLNIYKLRNNW-SMOJQAGNSA-N 2 0 334.420 -1.307 20 30 EAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521707 787060175 /nfs/dbraw/zinc/06/01/75/787060175.db2.gz CZRZLNIYKLRNNW-XCCIUEIHSA-N 2 0 334.420 -1.307 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521708 787060373 /nfs/dbraw/zinc/06/03/73/787060373.db2.gz CZRZLNIYKLRNNW-ZBUZPQQSSA-N 2 0 334.420 -1.307 20 30 EAEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869940 787207264 /nfs/dbraw/zinc/20/72/64/787207264.db2.gz OCTSXBVJCHQBKC-NEPJUHHUSA-N 2 0 325.413 -1.098 20 30 EAEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869941 787206222 /nfs/dbraw/zinc/20/62/22/787206222.db2.gz OCTSXBVJCHQBKC-NWDGAFQWSA-N 2 0 325.413 -1.098 20 30 EAEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869942 787205966 /nfs/dbraw/zinc/20/59/66/787205966.db2.gz OCTSXBVJCHQBKC-RYUDHWBXSA-N 2 0 325.413 -1.098 20 30 EAEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869943 787206319 /nfs/dbraw/zinc/20/63/19/787206319.db2.gz OCTSXBVJCHQBKC-VXGBXAGGSA-N 2 0 325.413 -1.098 20 30 EAEDRP C[C@H](COCC(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001134054907 787216547 /nfs/dbraw/zinc/21/65/47/787216547.db2.gz UPVMRJLDTJHYBQ-CYBMUJFWSA-N 2 0 325.413 -1.167 20 30 EAEDRP C[C@@H](COCC(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001134054908 787217469 /nfs/dbraw/zinc/21/74/69/787217469.db2.gz UPVMRJLDTJHYBQ-ZDUSSCGKSA-N 2 0 325.413 -1.167 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135119078 787274177 /nfs/dbraw/zinc/27/41/77/787274177.db2.gz XJRCZWFZBKRMJZ-CYBMUJFWSA-N 2 0 334.424 -1.098 20 30 EAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135119104 787274493 /nfs/dbraw/zinc/27/44/93/787274493.db2.gz XJRCZWFZBKRMJZ-ZDUSSCGKSA-N 2 0 334.424 -1.098 20 30 EAEDRP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841814 787565591 /nfs/dbraw/zinc/56/55/91/787565591.db2.gz IWRGDAQIQQEUKT-UHFFFAOYSA-N 2 0 329.401 -1.718 20 30 EAEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892957 787568116 /nfs/dbraw/zinc/56/81/16/787568116.db2.gz MGMFZHMAAGJLBP-GFCCVEGCSA-N 2 0 343.428 -1.329 20 30 EAEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892958 787567523 /nfs/dbraw/zinc/56/75/23/787567523.db2.gz MGMFZHMAAGJLBP-LBPRGKRZSA-N 2 0 343.428 -1.329 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001152324339 793228937 /nfs/dbraw/zinc/22/89/37/793228937.db2.gz RBCRYQZNRNHVSI-UHFFFAOYSA-N 2 0 344.481 -1.071 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCNS(=O)(=O)CC)CC1 ZINC001152329838 791150190 /nfs/dbraw/zinc/15/01/90/791150190.db2.gz CCTWPELQPQBHBI-UHFFFAOYSA-N 2 0 344.481 -1.023 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001152329992 793229594 /nfs/dbraw/zinc/22/95/94/793229594.db2.gz GSHQSDZUIFOIIK-UHFFFAOYSA-N 2 0 335.408 -1.411 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001152330015 793228211 /nfs/dbraw/zinc/22/82/11/793228211.db2.gz HRAFMQDRSUHGKJ-UHFFFAOYSA-N 2 0 349.435 -1.021 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001152330316 791149840 /nfs/dbraw/zinc/14/98/40/791149840.db2.gz LQBBNBWBBBWMJU-UHFFFAOYSA-N 2 0 330.454 -1.413 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)CC1 ZINC001152330705 793229441 /nfs/dbraw/zinc/22/94/41/793229441.db2.gz SZQJBFMXRQKHIL-GFCCVEGCSA-N 2 0 337.424 -1.119 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)CC1 ZINC001152330706 793228310 /nfs/dbraw/zinc/22/83/10/793228310.db2.gz SZQJBFMXRQKHIL-LBPRGKRZSA-N 2 0 337.424 -1.119 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N2CCNC(=O)C2)CC1 ZINC001152334384 791155209 /nfs/dbraw/zinc/15/52/09/791155209.db2.gz DBCHKEFRNOOKKG-UHFFFAOYSA-N 2 0 349.435 -2.004 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001152334404 793228405 /nfs/dbraw/zinc/22/84/05/793228405.db2.gz DUBVERFTYXJLNY-UHFFFAOYSA-N 2 0 336.436 -1.104 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(=O)NCC)CC1 ZINC001152334527 793228700 /nfs/dbraw/zinc/22/87/00/793228700.db2.gz GLQDOLHWGBFBIB-UHFFFAOYSA-N 2 0 337.424 -1.117 20 30 EAEDRP N#C[C@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157982764 793346700 /nfs/dbraw/zinc/34/67/00/793346700.db2.gz QIDTXODNQYBCFY-IHRRRGAJSA-N 2 0 336.440 -1.242 20 30 EAEDRP N#C[C@@H]1CNCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157982765 793346446 /nfs/dbraw/zinc/34/64/46/793346446.db2.gz QIDTXODNQYBCFY-RDBSUJKOSA-N 2 0 336.440 -1.242 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCOC3(CC[NH2+]CC3)C2)C1 ZINC001158077183 793349793 /nfs/dbraw/zinc/34/97/93/793349793.db2.gz QQESYQOQCODZNS-NEPJUHHUSA-N 2 0 347.437 -1.326 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC001158180481 793354644 /nfs/dbraw/zinc/35/46/44/793354644.db2.gz XMKZMBYUJSHTDJ-WISYIIOYSA-N 2 0 333.410 -1.860 20 30 EAEDRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CC(=O)NCC#N)n1 ZINC001158274673 793353770 /nfs/dbraw/zinc/35/37/70/793353770.db2.gz DFYABLIACVBGFV-UHFFFAOYSA-N 2 0 335.412 -1.206 20 30 EAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287743 793355193 /nfs/dbraw/zinc/35/51/93/793355193.db2.gz INLKRJRYWOMZPX-UHFFFAOYSA-N 2 0 334.424 -1.096 20 30 EAEDRP N#Cc1nccnc1N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160635764 793573341 /nfs/dbraw/zinc/57/33/41/793573341.db2.gz CLNLMSNIGNPVAP-GFCCVEGCSA-N 2 0 327.392 -1.194 20 30 EAEDRP N#Cc1nccnc1N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160635767 793572985 /nfs/dbraw/zinc/57/29/85/793572985.db2.gz CLNLMSNIGNPVAP-LBPRGKRZSA-N 2 0 327.392 -1.194 20 30 EAEDRP N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CCN1 ZINC001160652409 793575584 /nfs/dbraw/zinc/57/55/84/793575584.db2.gz DGNVZVSILIVVAL-RDBSUJKOSA-N 2 0 336.440 -1.242 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)C1 ZINC001160971416 793582445 /nfs/dbraw/zinc/58/24/45/793582445.db2.gz HARYMQYRFHGODE-HLTSFMKQSA-N 2 0 327.353 -1.112 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)C1 ZINC001160971417 793582754 /nfs/dbraw/zinc/58/27/54/793582754.db2.gz HARYMQYRFHGODE-YIZRAAEISA-N 2 0 327.353 -1.112 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1 ZINC001161008429 793585026 /nfs/dbraw/zinc/58/50/26/793585026.db2.gz OJIDIOWZQJHNAW-GRYCIOLGSA-N 2 0 347.437 -1.592 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1 ZINC001161008431 793583531 /nfs/dbraw/zinc/58/35/31/793583531.db2.gz OJIDIOWZQJHNAW-WOPDTQHZSA-N 2 0 347.437 -1.592 20 30 EAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872069 793631410 /nfs/dbraw/zinc/63/14/10/793631410.db2.gz FYLCMXMLTBZXFC-UUCFBXCCSA-N 2 0 334.420 -1.305 20 30 EAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872070 793631503 /nfs/dbraw/zinc/63/15/03/793631503.db2.gz FYLCMXMLTBZXFC-XOYHFGRZSA-N 2 0 334.420 -1.305 20 30 EAEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872314 793631760 /nfs/dbraw/zinc/63/17/60/793631760.db2.gz NODSFPFVFZYLRK-MFOWVQHXSA-N 2 0 335.408 -1.415 20 30 EAEDRP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872315 793631172 /nfs/dbraw/zinc/63/11/72/793631172.db2.gz NODSFPFVFZYLRK-UYJPIKCFSA-N 2 0 335.408 -1.415 20 30 EAEDRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001164538279 793662670 /nfs/dbraw/zinc/66/26/70/793662670.db2.gz BOXXLQDLSJTYCT-CYBMUJFWSA-N 2 0 325.413 -1.169 20 30 EAEDRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001164538280 793662371 /nfs/dbraw/zinc/66/23/71/793662371.db2.gz BOXXLQDLSJTYCT-ZDUSSCGKSA-N 2 0 325.413 -1.169 20 30 EAEDRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)cn1 ZINC001168043290 785669363 /nfs/dbraw/zinc/66/93/63/785669363.db2.gz IFWYIUIKNZMQPZ-UHFFFAOYSA-N 2 0 335.412 -1.206 20 30 EAEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043884 785669003 /nfs/dbraw/zinc/66/90/03/785669003.db2.gz NHEFEIIENXXHAO-UHFFFAOYSA-N 2 0 334.424 -1.096 20 30 EAEDRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CC(=O)NCC#N)CC1 ZINC001169541298 786519552 /nfs/dbraw/zinc/51/95/52/786519552.db2.gz IDAKESUDOLPVBK-UHFFFAOYSA-N 2 0 325.413 -1.167 20 30 EAEDRP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205682 787469196 /nfs/dbraw/zinc/46/91/96/787469196.db2.gz WDUJOGUWDYFRBI-UHFFFAOYSA-N 2 0 343.428 -1.328 20 30 EAEDRP CC[NH+](CC)C1CCC([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001173103823 787815835 /nfs/dbraw/zinc/81/58/35/787815835.db2.gz ULYOTVGJAXPFMY-OQMZOEMTSA-N 2 0 332.441 -1.129 20 30 EAEDRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176169915 787856369 /nfs/dbraw/zinc/85/63/69/787856369.db2.gz PTXKDGGFJZIWBK-CYBMUJFWSA-N 2 0 325.413 -1.310 20 30 EAEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176169919 787855901 /nfs/dbraw/zinc/85/59/01/787855901.db2.gz PTXKDGGFJZIWBK-ZDUSSCGKSA-N 2 0 325.413 -1.310 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001176926086 787875624 /nfs/dbraw/zinc/87/56/24/787875624.db2.gz GFKZSWUCTOXXFF-UHFFFAOYSA-N 2 0 344.481 -1.023 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001176926616 787876358 /nfs/dbraw/zinc/87/63/58/787876358.db2.gz QKUFHGTVQPVELH-UHFFFAOYSA-N 2 0 337.424 -1.117 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001176926795 787875647 /nfs/dbraw/zinc/87/56/47/787875647.db2.gz VJHHGSBNCXFLNW-UHFFFAOYSA-N 2 0 349.435 -1.021 20 30 EAEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001178982239 787936755 /nfs/dbraw/zinc/93/67/55/787936755.db2.gz KZRRFCUJSQLRDL-ZOBORPQBSA-N 2 0 337.424 -1.076 20 30 EAEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCN1CCOCC1 ZINC001179719362 787951595 /nfs/dbraw/zinc/95/15/95/787951595.db2.gz CSRLLJAWNHVLAA-KBPBESRZSA-N 2 0 337.424 -1.073 20 30 EAEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)COCC[NH+](C)C ZINC001179929875 787954776 /nfs/dbraw/zinc/95/47/76/787954776.db2.gz ZEWSXVHRFZALEX-STQMWFEESA-N 2 0 325.413 -1.217 20 30 EAEDRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)n1 ZINC001182670245 789691841 /nfs/dbraw/zinc/69/18/41/789691841.db2.gz MDQVPWLBIVFWJU-CYBMUJFWSA-N 2 0 347.423 -1.111 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670524 789691620 /nfs/dbraw/zinc/69/16/20/789691620.db2.gz PUJKEAMSOCFQHL-CQSZACIVSA-N 2 0 346.435 -1.002 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184425228 790366739 /nfs/dbraw/zinc/36/67/39/790366739.db2.gz RYVJYNKCDLUDKK-DGSCNEQVSA-N 2 0 346.431 -1.211 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184425229 790366302 /nfs/dbraw/zinc/36/63/02/790366302.db2.gz RYVJYNKCDLUDKK-NWPKHEMWSA-N 2 0 346.431 -1.211 20 30 EAEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184434515 790366136 /nfs/dbraw/zinc/36/61/36/790366136.db2.gz ZRLTWUVLDPOSIT-DLOXAQCQSA-N 2 0 347.419 -1.320 20 30 EAEDRP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184434517 790365694 /nfs/dbraw/zinc/36/56/94/790365694.db2.gz ZRLTWUVLDPOSIT-YXXKGXSTSA-N 2 0 347.419 -1.320 20 30 EAEDRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)cn1 ZINC001186235035 790426960 /nfs/dbraw/zinc/42/69/60/790426960.db2.gz OWFOKNIRPWNFQG-CQSZACIVSA-N 2 0 347.423 -1.111 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186235483 790428816 /nfs/dbraw/zinc/42/88/16/790428816.db2.gz ZRRMUJAEQUZSSD-OAHLLOKOSA-N 2 0 346.435 -1.002 20 30 EAEDRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC1 ZINC001186615934 790441081 /nfs/dbraw/zinc/44/10/81/790441081.db2.gz MVAADLRQWWCPTD-CYBMUJFWSA-N 2 0 337.424 -1.073 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187851271 790491120 /nfs/dbraw/zinc/49/11/20/790491120.db2.gz OCVNQCFKOREFQO-HUUCEWRRSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187851272 790491251 /nfs/dbraw/zinc/49/12/51/790491251.db2.gz OCVNQCFKOREFQO-LSDHHAIUSA-N 2 0 336.436 -1.105 20 30 EAEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187851836 790491771 /nfs/dbraw/zinc/49/17/71/790491771.db2.gz WJWYYKXHYVRPDP-UONOGXRCSA-N 2 0 337.424 -1.215 20 30 EAEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187851837 790491308 /nfs/dbraw/zinc/49/13/08/790491308.db2.gz WJWYYKXHYVRPDP-ZIAGYGMSSA-N 2 0 337.424 -1.215 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)CC1 ZINC001188090800 790501983 /nfs/dbraw/zinc/50/19/83/790501983.db2.gz IAFBEQLEMOUZSE-CQSZACIVSA-N 2 0 349.435 -1.022 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001188092720 790501685 /nfs/dbraw/zinc/50/16/85/790501685.db2.gz XBQUSBRGIZSPQW-CYBMUJFWSA-N 2 0 335.408 -1.283 20 30 EAEDRP C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001190900032 790619654 /nfs/dbraw/zinc/61/96/54/790619654.db2.gz NIIJSZPHFINMGZ-QLFBSQMISA-N 2 0 336.436 -1.012 20 30 EAEDRP C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001190900043 790619826 /nfs/dbraw/zinc/61/98/26/790619826.db2.gz NIIJSZPHFINMGZ-RBSFLKMASA-N 2 0 336.436 -1.012 20 30 EAEDRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)O1 ZINC001190900328 790620270 /nfs/dbraw/zinc/62/02/70/790620270.db2.gz OLYUOKYHBMHUBD-HZSPNIEDSA-N 2 0 337.424 -1.122 20 30 EAEDRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)O1 ZINC001190900330 790620667 /nfs/dbraw/zinc/62/06/67/790620667.db2.gz OLYUOKYHBMHUBD-MGPQQGTHSA-N 2 0 337.424 -1.122 20 30 EAEDRP COCC#CCN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320315 791147859 /nfs/dbraw/zinc/14/78/59/791147859.db2.gz XCRMXPIEQKFJRK-HZPDHXFCSA-N 2 0 339.436 -1.092 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2O)CC1 ZINC001199030635 791248183 /nfs/dbraw/zinc/24/81/83/791248183.db2.gz VPWHMDFVTDYASI-ARFHVFGLSA-N 2 0 339.436 -1.500 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2O)CC1 ZINC001199030636 791248443 /nfs/dbraw/zinc/24/84/43/791248443.db2.gz VPWHMDFVTDYASI-BZUAXINKSA-N 2 0 339.436 -1.500 20 30 EAEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200114031 791302423 /nfs/dbraw/zinc/30/24/23/791302423.db2.gz AIVBZOPIUZRQGS-KBPBESRZSA-N 2 0 337.424 -1.073 20 30 EAEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200114035 791302905 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C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001202056653 791394663 /nfs/dbraw/zinc/39/46/63/791394663.db2.gz APRLSCJFQLXUQM-UONOGXRCSA-N 2 0 337.424 -1.215 20 30 EAEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001202056655 791395450 /nfs/dbraw/zinc/39/54/50/791395450.db2.gz APRLSCJFQLXUQM-ZIAGYGMSSA-N 2 0 337.424 -1.215 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056817 791394565 /nfs/dbraw/zinc/39/45/65/791394565.db2.gz BZRYHYKHVALTCZ-CABCVRRESA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056819 791395291 /nfs/dbraw/zinc/39/52/91/791395291.db2.gz BZRYHYKHVALTCZ-GJZGRUSLSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056821 791394424 /nfs/dbraw/zinc/39/44/24/791394424.db2.gz BZRYHYKHVALTCZ-HUUCEWRRSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056823 791395426 /nfs/dbraw/zinc/39/54/26/791395426.db2.gz BZRYHYKHVALTCZ-LSDHHAIUSA-N 2 0 336.436 -1.105 20 30 EAEDRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203349690 787826990 /nfs/dbraw/zinc/82/69/90/787826990.db2.gz XNWAWRLINFUFHA-UHFFFAOYSA-N 2 0 325.413 -1.215 20 30 EAEDRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210676654 793843859 /nfs/dbraw/zinc/84/38/59/793843859.db2.gz HBUYRDLERJZBRE-CYBMUJFWSA-N 2 0 325.413 -1.215 20 30 EAEDRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210676655 793844677 /nfs/dbraw/zinc/84/46/77/793844677.db2.gz HBUYRDLERJZBRE-ZDUSSCGKSA-N 2 0 325.413 -1.215 20 30 EAEDRP C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214949851 793947648 /nfs/dbraw/zinc/94/76/48/793947648.db2.gz CSPUDEWNISSSQK-AAVRWANBSA-N 2 0 337.424 -1.218 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C ZINC001214949932 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ZDWAFEIVZZWSMM-SECBINFHSA-N 2 0 329.368 -1.509 20 30 EAEDRP N#Cc1nc(N)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc1C#N ZINC001218596392 794016556 /nfs/dbraw/zinc/01/65/56/794016556.db2.gz ZDWAFEIVZZWSMM-VIFPVBQESA-N 2 0 329.368 -1.509 20 30 EAEDRP N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]([NH3+])CSCC[NH3+])c1N ZINC001218596628 794016658 /nfs/dbraw/zinc/01/66/58/794016658.db2.gz BNBVQABDJUSJSM-VIFPVBQESA-N 2 0 336.425 -1.358 20 30 EAEDRP N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1N ZINC001218597541 794016469 /nfs/dbraw/zinc/01/64/69/794016469.db2.gz XZLFTNKOBHNZTD-LLVKDONJSA-N 2 0 330.396 -1.051 20 30 EAEDRP N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1N ZINC001218597542 794016779 /nfs/dbraw/zinc/01/67/79/794016779.db2.gz XZLFTNKOBHNZTD-NSHDSACASA-N 2 0 330.396 -1.051 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)C1 ZINC001218640092 794018580 /nfs/dbraw/zinc/01/85/80/794018580.db2.gz FAQZHUVTOFVQQL-MNOVXSKESA-N 2 0 329.382 -1.327 20 30 EAEDRP 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CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)C1 ZINC001219765944 794179446 /nfs/dbraw/zinc/17/94/46/794179446.db2.gz IZUYKSLWOAUSLC-XQHKEYJVSA-N 2 0 346.453 -1.897 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCc2noc3c2C[NH2+]CC3)C1 ZINC001219811287 794188350 /nfs/dbraw/zinc/18/83/50/794188350.db2.gz OEXSLBCUESALCW-SCZZXKLOSA-N 2 0 344.393 -1.357 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC001219814362 794188373 /nfs/dbraw/zinc/18/83/73/794188373.db2.gz ANPQIZKJUHWOEZ-NOHGZBONSA-N 2 0 333.410 -1.955 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)C1 ZINC001219831462 794191488 /nfs/dbraw/zinc/19/14/88/794191488.db2.gz LTERIZGYFNIWCX-JCIQBVFBSA-N 2 0 333.410 -1.814 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C1 ZINC001219848057 794196439 /nfs/dbraw/zinc/19/64/39/794196439.db2.gz VUQRTBIFKIVWOY-WTPMCQDGSA-N 2 0 333.410 -1.671 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C1 ZINC001219851724 794197596 /nfs/dbraw/zinc/19/75/96/794197596.db2.gz CDBOYJYDGJVBNY-FPYNETTCSA-N 2 0 347.437 -1.566 20 30 EAEDRP COC(=O)C1(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)CC[NH2+]CC1 ZINC001220001024 794228727 /nfs/dbraw/zinc/22/87/27/794228727.db2.gz DCZGDXWDTGAJLM-ZJUUUORDSA-N 2 0 349.409 -1.896 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320338 794277985 /nfs/dbraw/zinc/27/79/85/794277985.db2.gz MTDACLJQMGSMTO-KZVDOYCCSA-N 2 0 347.437 -1.280 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320340 794278002 /nfs/dbraw/zinc/27/80/02/794278002.db2.gz MTDACLJQMGSMTO-NMKXLXIOSA-N 2 0 347.437 -1.280 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1 ZINC001220320342 794278275 /nfs/dbraw/zinc/27/82/75/794278275.db2.gz MTDACLJQMGSMTO-NRWUCQMLSA-N 2 0 347.437 -1.280 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C1 ZINC001220320344 794278053 /nfs/dbraw/zinc/27/80/53/794278053.db2.gz MTDACLJQMGSMTO-OPDFLTKYSA-N 2 0 347.437 -1.280 20 30 EAEDRP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCCOCCOCC[NH3+])C1 ZINC001220519126 794309149 /nfs/dbraw/zinc/30/91/49/794309149.db2.gz BVAKCJAILAPNQX-MNOVXSKESA-N 2 0 339.414 -2.199 20 30 EAEDRP N=C(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccc(C(N)=O)cc1 ZINC001220643884 794332851 /nfs/dbraw/zinc/33/28/51/794332851.db2.gz XAAKXQPBDMUERU-CYBMUJFWSA-N 2 0 332.408 -1.232 20 30 EAEDRP N=C(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccc(C(N)=O)cc1 ZINC001220643885 794333102 /nfs/dbraw/zinc/33/31/02/794333102.db2.gz XAAKXQPBDMUERU-ZDUSSCGKSA-N 2 0 332.408 -1.232 20 30 EAEDRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)C[NH2+]C1 ZINC001220830138 794366059 /nfs/dbraw/zinc/36/60/59/794366059.db2.gz PCBMSWFTQCDWMF-SCZZXKLOSA-N 2 0 347.393 -1.770 20 30 EAEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220868847 794372942 /nfs/dbraw/zinc/37/29/42/794372942.db2.gz WUURCKINVCEQOO-SRVKXCTJSA-N 2 0 325.413 -1.540 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2O)CC1 ZINC001221066420 794409187 /nfs/dbraw/zinc/40/91/87/794409187.db2.gz VPWHMDFVTDYASI-OAGGEKHMSA-N 2 0 339.436 -1.500 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2O)CC1 ZINC001221066421 794408120 /nfs/dbraw/zinc/40/81/20/794408120.db2.gz VPWHMDFVTDYASI-XHSDSOJGSA-N 2 0 339.436 -1.500 20 30 EAEDRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1 ZINC001221190638 794426247 /nfs/dbraw/zinc/42/62/47/794426247.db2.gz WCQBNCIPJPBMMV-UTLUCORTSA-N 2 0 337.398 -1.910 20 30 EAEDRP O=C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001256850254 794743406 /nfs/dbraw/zinc/74/34/06/794743406.db2.gz USDFSFDBLQTKKX-ZJIFWQFVSA-N 2 0 339.392 -1.718 20 30 EAEDRP C[NH+](C)CCC(=O)N1CCC[C@H](N(CCO)CC(=O)NCC#N)C1 ZINC001264078099 794824406 /nfs/dbraw/zinc/82/44/06/794824406.db2.gz CAMBSRNQICNTIB-AWEZNQCLSA-N 2 0 339.440 -1.137 20 30 EAEDRP C[NH+](C)CCC(=O)N1CCC[C@@H](N(CCO)CC(=O)NCC#N)C1 ZINC001264078106 794824472 /nfs/dbraw/zinc/82/44/72/794824472.db2.gz CAMBSRNQICNTIB-CQSZACIVSA-N 2 0 339.440 -1.137 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001265449743 794863302 /nfs/dbraw/zinc/86/33/02/794863302.db2.gz ZRRMUJAEQUZSSD-HNNXBMFYSA-N 2 0 346.435 -1.002 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265458212 794863525 /nfs/dbraw/zinc/86/35/25/794863525.db2.gz OCVNQCFKOREFQO-CABCVRRESA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265458213 794863571 /nfs/dbraw/zinc/86/35/71/794863571.db2.gz OCVNQCFKOREFQO-GJZGRUSLSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001265870031 794876361 /nfs/dbraw/zinc/87/63/61/794876361.db2.gz HVFWBUMUSIVPLB-CYBMUJFWSA-N 2 0 349.435 -1.022 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001265870032 794875258 /nfs/dbraw/zinc/87/52/58/794875258.db2.gz HVFWBUMUSIVPLB-ZDUSSCGKSA-N 2 0 349.435 -1.022 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)CC1 ZINC001265978542 794884375 /nfs/dbraw/zinc/88/43/75/794884375.db2.gz QCXVIMRFSNJBIE-UHFFFAOYSA-N 2 0 337.424 -1.035 20 30 EAEDRP C#CCNC(=O)CN1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266359113 785095921 /nfs/dbraw/zinc/09/59/21/785095921.db2.gz NZMZHPIHHVGOLE-CABCVRRESA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266359114 785097952 /nfs/dbraw/zinc/09/79/52/785097952.db2.gz NZMZHPIHHVGOLE-GJZGRUSLSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266359115 785097289 /nfs/dbraw/zinc/09/72/89/785097289.db2.gz NZMZHPIHHVGOLE-HUUCEWRRSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266359116 785097408 /nfs/dbraw/zinc/09/74/08/785097408.db2.gz NZMZHPIHHVGOLE-LSDHHAIUSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266733315 785153742 /nfs/dbraw/zinc/15/37/42/785153742.db2.gz QUBQWCJGLKJQSV-KFWWJZLASA-N 2 0 336.436 -1.059 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266733317 785153618 /nfs/dbraw/zinc/15/36/18/785153618.db2.gz QUBQWCJGLKJQSV-SOUVJXGZSA-N 2 0 336.436 -1.059 20 30 EAEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001267470282 785241475 /nfs/dbraw/zinc/24/14/75/785241475.db2.gz YTQGZUMGHVYRFJ-CYBMUJFWSA-N 2 0 325.413 -1.358 20 30 EAEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001267470283 785241172 /nfs/dbraw/zinc/24/11/72/785241172.db2.gz YTQGZUMGHVYRFJ-ZDUSSCGKSA-N 2 0 325.413 -1.358 20 30 EAEDRP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267514432 785246555 /nfs/dbraw/zinc/24/65/55/785246555.db2.gz WFRSOMJYZKDLFM-CABCVRRESA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267514433 785246170 /nfs/dbraw/zinc/24/61/70/785246170.db2.gz WFRSOMJYZKDLFM-GJZGRUSLSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001267514434 785245552 /nfs/dbraw/zinc/24/55/52/785245552.db2.gz WFRSOMJYZKDLFM-HUUCEWRRSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001267514435 785245618 /nfs/dbraw/zinc/24/56/18/785245618.db2.gz WFRSOMJYZKDLFM-LSDHHAIUSA-N 2 0 336.436 -1.105 20 30 EAEDRP CC[C@H](CNC(=O)[C@H]1CN(CC)CCO1)[NH2+]CC(=O)NCC#N ZINC001267828695 785298500 /nfs/dbraw/zinc/29/85/00/785298500.db2.gz FBSCKOKEEJKOSG-CHWSQXEVSA-N 2 0 325.413 -1.169 20 30 EAEDRP CC[C@H](CNC(=O)[C@@H]1CN(CC)CCO1)[NH2+]CC(=O)NCC#N ZINC001267828696 785298766 /nfs/dbraw/zinc/29/87/66/785298766.db2.gz FBSCKOKEEJKOSG-OLZOCXBDSA-N 2 0 325.413 -1.169 20 30 EAEDRP CC[C@@H](CNC(=O)[C@H]1CN(CC)CCO1)[NH2+]CC(=O)NCC#N ZINC001267828697 785297766 /nfs/dbraw/zinc/29/77/66/785297766.db2.gz FBSCKOKEEJKOSG-QWHCGFSZSA-N 2 0 325.413 -1.169 20 30 EAEDRP CC[C@@H](CNC(=O)[C@@H]1CN(CC)CCO1)[NH2+]CC(=O)NCC#N ZINC001267828698 785298114 /nfs/dbraw/zinc/29/81/14/785298114.db2.gz FBSCKOKEEJKOSG-STQMWFEESA-N 2 0 325.413 -1.169 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001268310479 785405556 /nfs/dbraw/zinc/40/55/56/785405556.db2.gz BPGOUVHYOPIERT-AWEZNQCLSA-N 2 0 336.436 -1.322 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001268310480 785406004 /nfs/dbraw/zinc/40/60/04/785406004.db2.gz BPGOUVHYOPIERT-CQSZACIVSA-N 2 0 336.436 -1.322 20 30 EAEDRP CC(C)(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001268316003 785409489 /nfs/dbraw/zinc/40/94/89/785409489.db2.gz GQRDRCLJOXTQON-GFCCVEGCSA-N 2 0 325.413 -1.433 20 30 EAEDRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001268316018 785409468 /nfs/dbraw/zinc/40/94/68/785409468.db2.gz GQRDRCLJOXTQON-LBPRGKRZSA-N 2 0 325.413 -1.433 20 30 EAEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001268325053 785415232 /nfs/dbraw/zinc/41/52/32/785415232.db2.gz RERHXIWCZPZTHD-KBPBESRZSA-N 2 0 339.440 -1.044 20 30 EAEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001268325060 785415305 /nfs/dbraw/zinc/41/53/05/785415305.db2.gz RERHXIWCZPZTHD-KGLIPLIRSA-N 2 0 339.440 -1.044 20 30 EAEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001268325061 785415497 /nfs/dbraw/zinc/41/54/97/785415497.db2.gz RERHXIWCZPZTHD-UONOGXRCSA-N 2 0 339.440 -1.044 20 30 EAEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001268325062 785415019 /nfs/dbraw/zinc/41/50/19/785415019.db2.gz RERHXIWCZPZTHD-ZIAGYGMSSA-N 2 0 339.440 -1.044 20 30 EAEDRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268326658 785415218 /nfs/dbraw/zinc/41/52/18/785415218.db2.gz MAQLRTORYGJPIU-AWEZNQCLSA-N 2 0 339.440 -1.187 20 30 EAEDRP CC(C)[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268326659 785414669 /nfs/dbraw/zinc/41/46/69/785414669.db2.gz MAQLRTORYGJPIU-CQSZACIVSA-N 2 0 339.440 -1.187 20 30 EAEDRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268714959 785469204 /nfs/dbraw/zinc/46/92/04/785469204.db2.gz FGPICAQYBWRKGL-OLZOCXBDSA-N 2 0 325.413 -1.311 20 30 EAEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268714960 785469033 /nfs/dbraw/zinc/46/90/33/785469033.db2.gz FGPICAQYBWRKGL-STQMWFEESA-N 2 0 325.413 -1.311 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001268717140 785469009 /nfs/dbraw/zinc/46/90/09/785469009.db2.gz RWPHZAQKLBRBCE-LBPRGKRZSA-N 2 0 337.424 -1.119 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C[C@H](O)COC)C1 ZINC001271159464 785665051 /nfs/dbraw/zinc/66/50/51/785665051.db2.gz JZKRITTVMFWVHL-YQQAZPJKSA-N 2 0 339.436 -1.356 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C[C@H](O)COC)C1 ZINC001271159470 785664817 /nfs/dbraw/zinc/66/48/17/785664817.db2.gz JZKRITTVMFWVHL-ZOBUZTSGSA-N 2 0 339.436 -1.356 20 30 EAEDRP C#CCNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001271228326 785683233 /nfs/dbraw/zinc/68/32/33/785683233.db2.gz LGNOOCCAYIWJJR-BBRMVZONSA-N 2 0 333.392 -1.426 20 30 EAEDRP C#CCNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001271228327 785683010 /nfs/dbraw/zinc/68/30/10/785683010.db2.gz LGNOOCCAYIWJJR-CJNGLKHVSA-N 2 0 333.392 -1.426 20 30 EAEDRP C#CCNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001271228328 785683270 /nfs/dbraw/zinc/68/32/70/785683270.db2.gz LGNOOCCAYIWJJR-CZUORRHYSA-N 2 0 333.392 -1.426 20 30 EAEDRP C#CCNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)Cn2ccnc2)C1 ZINC001271228329 785683111 /nfs/dbraw/zinc/68/31/11/785683111.db2.gz LGNOOCCAYIWJJR-XJKSGUPXSA-N 2 0 333.392 -1.426 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272169829 785803342 /nfs/dbraw/zinc/80/33/42/785803342.db2.gz XAEKDRCNHPYUAC-RBSFLKMASA-N 2 0 338.452 -1.125 20 30 EAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272169834 785802467 /nfs/dbraw/zinc/80/24/67/785802467.db2.gz XAEKDRCNHPYUAC-RRFJBIMHSA-N 2 0 338.452 -1.125 20 30 EAEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001272294888 785953997 /nfs/dbraw/zinc/95/39/97/785953997.db2.gz FDTJKJBJSVQZBG-AWEZNQCLSA-N 2 0 336.436 -1.369 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001272294889 785953702 /nfs/dbraw/zinc/95/37/02/785953702.db2.gz FDTJKJBJSVQZBG-CQSZACIVSA-N 2 0 336.436 -1.369 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001272442768 785973393 /nfs/dbraw/zinc/97/33/93/785973393.db2.gz HOUONKDVMQTECN-NEPJUHHUSA-N 2 0 339.396 -2.394 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001272442769 785973242 /nfs/dbraw/zinc/97/32/42/785973242.db2.gz HOUONKDVMQTECN-RYUDHWBXSA-N 2 0 339.396 -2.394 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNCc1cn(CC)nn1 ZINC001272444881 785974465 /nfs/dbraw/zinc/97/44/65/785974465.db2.gz XJLSSYBZFSOVOW-CABCVRRESA-N 2 0 334.424 -1.038 20 30 EAEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1cn(CC)nn1 ZINC001272444884 785973889 /nfs/dbraw/zinc/97/38/89/785973889.db2.gz XJLSSYBZFSOVOW-GJZGRUSLSA-N 2 0 334.424 -1.038 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001272553953 785991910 /nfs/dbraw/zinc/99/19/10/785991910.db2.gz SWOSTFBSLBMRPL-HNNXBMFYSA-N 2 0 338.452 -1.077 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001272553968 785992822 /nfs/dbraw/zinc/99/28/22/785992822.db2.gz SWOSTFBSLBMRPL-OAHLLOKOSA-N 2 0 338.452 -1.077 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)CC1 ZINC001272584082 786012395 /nfs/dbraw/zinc/01/23/95/786012395.db2.gz LKJCOVAKWDFSIH-HNNXBMFYSA-N 2 0 336.436 -1.369 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)CC1 ZINC001272584083 786011829 /nfs/dbraw/zinc/01/18/29/786011829.db2.gz LKJCOVAKWDFSIH-OAHLLOKOSA-N 2 0 336.436 -1.369 20 30 EAEDRP C[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001273307939 786430476 /nfs/dbraw/zinc/43/04/76/786430476.db2.gz FIGBXIJDRJFVAY-AWEZNQCLSA-N 2 0 337.424 -1.215 20 30 EAEDRP C[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001273307940 786430242 /nfs/dbraw/zinc/43/02/42/786430242.db2.gz FIGBXIJDRJFVAY-CQSZACIVSA-N 2 0 337.424 -1.215 20 30 EAEDRP C[NH+](C)CC1(C(=O)N2CCO[C@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001273308946 786430357 /nfs/dbraw/zinc/43/03/57/786430357.db2.gz SEGGVNPGNXIHOE-CYBMUJFWSA-N 2 0 337.424 -1.215 20 30 EAEDRP C[NH+](C)CC1(C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)CC1 ZINC001273308948 786430005 /nfs/dbraw/zinc/43/00/05/786430005.db2.gz SEGGVNPGNXIHOE-ZDUSSCGKSA-N 2 0 337.424 -1.215 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001273341753 786436693 /nfs/dbraw/zinc/43/66/93/786436693.db2.gz DPOQPTNZVUDEEP-CABCVRRESA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001273341754 786436252 /nfs/dbraw/zinc/43/62/52/786436252.db2.gz DPOQPTNZVUDEEP-GJZGRUSLSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001273341755 786436739 /nfs/dbraw/zinc/43/67/39/786436739.db2.gz DPOQPTNZVUDEEP-HUUCEWRRSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001273341756 786436962 /nfs/dbraw/zinc/43/69/62/786436962.db2.gz DPOQPTNZVUDEEP-LSDHHAIUSA-N 2 0 336.436 -1.105 20 30 EAEDRP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001274501032 791485159 /nfs/dbraw/zinc/48/51/59/791485159.db2.gz FWCOSSZQCMOECQ-AWEZNQCLSA-N 2 0 336.436 -1.227 20 30 EAEDRP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274501033 791485423 /nfs/dbraw/zinc/48/54/23/791485423.db2.gz FWCOSSZQCMOECQ-CQSZACIVSA-N 2 0 336.436 -1.227 20 30 EAEDRP CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001274528855 791487980 /nfs/dbraw/zinc/48/79/80/791487980.db2.gz QBDJQXVCFAUDSO-CYBMUJFWSA-N 2 0 339.440 -1.091 20 30 EAEDRP C[NH+](C)CCCC(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC001274549965 791489492 /nfs/dbraw/zinc/48/94/92/791489492.db2.gz INRNDYFXKAZTFI-UHFFFAOYSA-N 2 0 339.440 -1.089 20 30 EAEDRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001274558393 791490756 /nfs/dbraw/zinc/49/07/56/791490756.db2.gz QBDJQXVCFAUDSO-ZDUSSCGKSA-N 2 0 339.440 -1.091 20 30 EAEDRP CC(C)[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC001274587424 791497670 /nfs/dbraw/zinc/49/76/70/791497670.db2.gz APOIMGGANCLOTH-UHFFFAOYSA-N 2 0 339.440 -1.091 20 30 EAEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CCOCC1 ZINC001278718938 794693043 /nfs/dbraw/zinc/69/30/43/794693043.db2.gz WKQJBPGZUSEMGY-CYBMUJFWSA-N 2 0 337.424 -1.025 20 30 EAEDRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCOCC2)C1 ZINC001278728139 794694974 /nfs/dbraw/zinc/69/49/74/794694974.db2.gz CJLDRYZRCWIHBI-CYBMUJFWSA-N 2 0 337.424 -1.167 20 30 EAEDRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCOCC2)C1 ZINC001278728140 794694527 /nfs/dbraw/zinc/69/45/27/794694527.db2.gz CJLDRYZRCWIHBI-ZDUSSCGKSA-N 2 0 337.424 -1.167 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001278779945 794710867 /nfs/dbraw/zinc/71/08/67/794710867.db2.gz SSSUAESUUGOQIE-AWEZNQCLSA-N 2 0 336.436 -1.227 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001278779946 794711167 /nfs/dbraw/zinc/71/11/67/794711167.db2.gz SSSUAESUUGOQIE-CQSZACIVSA-N 2 0 336.436 -1.227 20 30 EAEDRP CN(CC(=O)NCC#N)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278882252 794734079 /nfs/dbraw/zinc/73/40/79/794734079.db2.gz CTBNHBHREYAEGI-CYBMUJFWSA-N 2 0 325.413 -1.527 20 30 EAEDRP CN(CC(=O)NCC#N)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278882253 794734570 /nfs/dbraw/zinc/73/45/70/794734570.db2.gz CTBNHBHREYAEGI-ZDUSSCGKSA-N 2 0 325.413 -1.527 20 30 EAEDRP C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278882490 794734913 /nfs/dbraw/zinc/73/49/13/794734913.db2.gz INDRPEFBXMOBCM-KBPBESRZSA-N 2 0 326.441 -1.009 20 30 EAEDRP C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278882491 794734475 /nfs/dbraw/zinc/73/44/75/794734475.db2.gz INDRPEFBXMOBCM-KGLIPLIRSA-N 2 0 326.441 -1.009 20 30 EAEDRP C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278882492 794734318 /nfs/dbraw/zinc/73/43/18/794734318.db2.gz INDRPEFBXMOBCM-UONOGXRCSA-N 2 0 326.441 -1.009 20 30 EAEDRP C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278882493 794733765 /nfs/dbraw/zinc/73/37/65/794733765.db2.gz INDRPEFBXMOBCM-ZIAGYGMSSA-N 2 0 326.441 -1.009 20 30 EAEDRP C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278882552 794733854 /nfs/dbraw/zinc/73/38/54/794733854.db2.gz JMZOWOVSPUNQTJ-CABCVRRESA-N 2 0 338.452 -1.171 20 30 EAEDRP C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278882553 794733979 /nfs/dbraw/zinc/73/39/79/794733979.db2.gz JMZOWOVSPUNQTJ-GJZGRUSLSA-N 2 0 338.452 -1.171 20 30 EAEDRP C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278882554 794734842 /nfs/dbraw/zinc/73/48/42/794734842.db2.gz JMZOWOVSPUNQTJ-HUUCEWRRSA-N 2 0 338.452 -1.171 20 30 EAEDRP C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278882555 794734607 /nfs/dbraw/zinc/73/46/07/794734607.db2.gz JMZOWOVSPUNQTJ-LSDHHAIUSA-N 2 0 338.452 -1.171 20 30 EAEDRP C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001279718322 794906017 /nfs/dbraw/zinc/90/60/17/794906017.db2.gz VKZRFKLJZOGDPZ-HNNXBMFYSA-N 2 0 336.436 -1.512 20 30 EAEDRP C#CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001279718325 794905270 /nfs/dbraw/zinc/90/52/70/794905270.db2.gz VKZRFKLJZOGDPZ-OAHLLOKOSA-N 2 0 336.436 -1.512 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001280582700 794928731 /nfs/dbraw/zinc/92/87/31/794928731.db2.gz KBUPDXXOEYOHLD-QLFBSQMISA-N 2 0 336.436 -1.107 20 30 EAEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCO1 ZINC001280582702 794928778 /nfs/dbraw/zinc/92/87/78/794928778.db2.gz KBUPDXXOEYOHLD-RBSFLKMASA-N 2 0 336.436 -1.107 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)CC1 ZINC001281113662 794979120 /nfs/dbraw/zinc/97/91/20/794979120.db2.gz REPIIAKFYIBXBQ-HNNXBMFYSA-N 2 0 338.452 -1.123 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)CC1 ZINC001281113663 794978863 /nfs/dbraw/zinc/97/88/63/794978863.db2.gz REPIIAKFYIBXBQ-OAHLLOKOSA-N 2 0 338.452 -1.123 20 30 EAEDRP CC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001281185348 794986612 /nfs/dbraw/zinc/98/66/12/794986612.db2.gz SEYHWILWUCPYPN-INIZCTEOSA-N 2 0 339.440 -1.089 20 30 EAEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001281185349 794986917 /nfs/dbraw/zinc/98/69/17/794986917.db2.gz SEYHWILWUCPYPN-MRXNPFEDSA-N 2 0 339.440 -1.089 20 30 EAEDRP C[NH+](C)CCC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCOCC1 ZINC001281264862 794999996 /nfs/dbraw/zinc/99/99/96/794999996.db2.gz PWSRIMQUXSYGTF-UHFFFAOYSA-N 2 0 325.413 -1.167 20 30 EAEDRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCOCC2)C1 ZINC001281282389 795007473 /nfs/dbraw/zinc/00/74/73/795007473.db2.gz BEEJGCYDAXMZEZ-CYBMUJFWSA-N 2 0 337.424 -1.167 20 30 EAEDRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCOCC2)C1 ZINC001281282391 795007091 /nfs/dbraw/zinc/00/70/91/795007091.db2.gz BEEJGCYDAXMZEZ-ZDUSSCGKSA-N 2 0 337.424 -1.167 20 30 EAEDRP C[NH+](C)CCC(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC001281627376 795023850 /nfs/dbraw/zinc/02/38/50/795023850.db2.gz ONBFPZWVMVOYDQ-UHFFFAOYSA-N 2 0 325.413 -1.479 20 30 EAEDRP CC[N@H+](C)CCC(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC001281635750 795025137 /nfs/dbraw/zinc/02/51/37/795025137.db2.gz YKUKKAYPFNNDGJ-UHFFFAOYSA-N 2 0 339.440 -1.089 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001283771342 788486369 /nfs/dbraw/zinc/48/63/69/788486369.db2.gz IJUKRYIPJSKAQH-AWEZNQCLSA-N 2 0 336.436 -1.322 20 30 EAEDRP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001283771352 788486524 /nfs/dbraw/zinc/48/65/24/788486524.db2.gz IJUKRYIPJSKAQH-CQSZACIVSA-N 2 0 336.436 -1.322 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N)CC1 ZINC001283831921 788502948 /nfs/dbraw/zinc/50/29/48/788502948.db2.gz PQSPELZMXAOBTM-AWEZNQCLSA-N 2 0 335.408 -1.962 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N)CC1 ZINC001283831922 788503594 /nfs/dbraw/zinc/50/35/94/788503594.db2.gz PQSPELZMXAOBTM-CQSZACIVSA-N 2 0 335.408 -1.962 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001283832752 788503632 /nfs/dbraw/zinc/50/36/32/788503632.db2.gz XKSNDILHAYXWKL-GDBMZVCRSA-N 2 0 348.447 -1.464 20 30 EAEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001283832757 788502629 /nfs/dbraw/zinc/50/26/29/788502629.db2.gz XKSNDILHAYXWKL-GOEBONIOSA-N 2 0 348.447 -1.464 20 30 EAEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001283832759 788504391 /nfs/dbraw/zinc/50/43/91/788504391.db2.gz XKSNDILHAYXWKL-HOCLYGCPSA-N 2 0 348.447 -1.464 20 30 EAEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001283832762 788504431 /nfs/dbraw/zinc/50/44/31/788504431.db2.gz XKSNDILHAYXWKL-ZBFHGGJFSA-N 2 0 348.447 -1.464 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001284476291 788565219 /nfs/dbraw/zinc/56/52/19/788565219.db2.gz HMWKYRBBOIIVPA-HNNXBMFYSA-N 2 0 338.452 -1.171 20 30 EAEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001284476292 788565503 /nfs/dbraw/zinc/56/55/03/788565503.db2.gz HMWKYRBBOIIVPA-OAHLLOKOSA-N 2 0 338.452 -1.171 20 30 EAEDRP