smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@H](C)N[C@H](C)c1ccncc1 161237379 538058293 /nfs/dbraw/zinc/05/82/93/538058293.db2.gz BUHAFGCQIYRYIJ-VHSXEESVSA-N 0 3 176.263 2.307 10 30 AEEEHN C=C[C@@H](C)N[C@@H](C)c1ccncc1 161237278 538058562 /nfs/dbraw/zinc/05/85/62/538058562.db2.gz BUHAFGCQIYRYIJ-ZJUUUORDSA-N 0 3 176.263 2.307 10 30 AEEEHN C=C[C@@H](C)N[C@H](C)c1ccncc1 161237481 538061018 /nfs/dbraw/zinc/06/10/18/538061018.db2.gz BUHAFGCQIYRYIJ-NXEZZACHSA-N 0 3 176.263 2.307 10 30 AEEEHN C=C[C@H](C)N[C@@H](C)c1ccncc1 161237176 538061505 /nfs/dbraw/zinc/06/15/05/538061505.db2.gz BUHAFGCQIYRYIJ-UWVGGRQHSA-N 0 3 176.263 2.307 10 30 AEEEHN C=C(C)C[NH2+]Cc1ccccc1[O-] 162954357 538076800 /nfs/dbraw/zinc/07/68/00/538076800.db2.gz NCGQUSYAVCEKNG-UHFFFAOYSA-N 0 3 177.247 2.058 10 30 AEEEHN C=C(C)CNCc1cnccc1C 167476808 538174032 /nfs/dbraw/zinc/17/40/32/538174032.db2.gz PWUDEWDVPRWKNR-UHFFFAOYSA-N 0 3 176.263 2.056 10 30 AEEEHN C=CCCCN(C)CC1(F)CC1 379325808 538348114 /nfs/dbraw/zinc/34/81/14/538348114.db2.gz DXZHUCNHJCFWFM-UHFFFAOYSA-N 0 3 171.259 2.387 10 30 AEEEHN C=CCCN(C)Cc1cccn1C 379381986 538374203 /nfs/dbraw/zinc/37/42/03/538374203.db2.gz HSYXXDHVUVRGPP-UHFFFAOYSA-N 0 3 178.279 2.033 10 30 AEEEHN C=CCN1CC[C@@H](CC(F)(F)F)C1 379380328 538374457 /nfs/dbraw/zinc/37/44/57/538374457.db2.gz DQUNFNRDVOCFLY-QMMMGPOBSA-N 0 3 193.212 2.447 10 30 AEEEHN C=CCN1CC[C@H](CC(F)(F)F)C1 379380326 538374680 /nfs/dbraw/zinc/37/46/80/538374680.db2.gz DQUNFNRDVOCFLY-MRVPVSSYSA-N 0 3 193.212 2.447 10 30 AEEEHN C=C(C)CN(C)Cc1ccncc1 379387329 538381631 /nfs/dbraw/zinc/38/16/31/538381631.db2.gz HBSBXXOWHGFNJP-UHFFFAOYSA-N 0 3 176.263 2.090 10 30 AEEEHN C=C(C)CN(C)C[C@H]1CC[C@@H](C)O1 379399015 538389208 /nfs/dbraw/zinc/38/92/08/538389208.db2.gz GGZAYHQYMYZBKN-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(C)CN(C)C[C@@H]1CC[C@H](C)O1 379399017 538390911 /nfs/dbraw/zinc/39/09/11/538390911.db2.gz GGZAYHQYMYZBKN-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(C)CN(C)C[C@@H]1CC[C@@H](C)O1 379399016 538391114 /nfs/dbraw/zinc/39/11/14/538391114.db2.gz GGZAYHQYMYZBKN-MNOVXSKESA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(C)CN(C)C[C@H]1CC[C@H](C)O1 379399018 538391171 /nfs/dbraw/zinc/39/11/71/538391171.db2.gz GGZAYHQYMYZBKN-WDEREUQCSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCN(CCOC(C)C)C1CC1 379408916 538402928 /nfs/dbraw/zinc/40/29/28/538402928.db2.gz BYJYUJNVTQUCFY-UHFFFAOYSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCNCc1ccc(C)cn1 379494076 538411962 /nfs/dbraw/zinc/41/19/62/538411962.db2.gz VXCMVIKNCFCROB-UHFFFAOYSA-N 0 3 190.290 2.446 10 30 AEEEHN C=CCOCCN[C@@H](C)c1ccoc1 379514046 538413147 /nfs/dbraw/zinc/41/31/47/538413147.db2.gz VVVFSJIKMLBFLX-JTQLQIEISA-N 0 3 195.262 2.133 10 30 AEEEHN C=CCOCCN[C@H](C)c1ccoc1 379514048 538413647 /nfs/dbraw/zinc/41/36/47/538413647.db2.gz VVVFSJIKMLBFLX-SNVBAGLBSA-N 0 3 195.262 2.133 10 30 AEEEHN C=CCN(CC=C)CCCF 388142928 538429731 /nfs/dbraw/zinc/42/97/31/538429731.db2.gz DXCDBCPDCCKWHX-UHFFFAOYSA-N 0 3 157.232 2.020 10 30 AEEEHN C=CCN(CC)CCc1nccs1 388253585 538430601 /nfs/dbraw/zinc/43/06/01/538430601.db2.gz YDJFZFLBZLIQDE-UHFFFAOYSA-N 0 3 196.319 2.194 10 30 AEEEHN C=CCc1cccc(CN(C)C)c1 667946069 538442247 /nfs/dbraw/zinc/44/22/47/538442247.db2.gz NUEDUCODQDDGSD-UHFFFAOYSA-N 0 3 175.275 2.477 10 30 AEEEHN C=CCC1(C=O)CCN(C2CC2)CC1 669371832 538442459 /nfs/dbraw/zinc/44/24/59/538442459.db2.gz AVFWUPDMXIIZNZ-UHFFFAOYSA-N 0 3 193.290 2.006 10 30 AEEEHN N#Cc1cc(CNC2CCC2)cs1 669381687 538445731 /nfs/dbraw/zinc/44/57/31/538445731.db2.gz RNZJQDOEJWOPJH-UHFFFAOYSA-N 0 3 192.287 2.262 10 30 AEEEHN CCCNCc1csc(C#N)c1 669381741 538445931 /nfs/dbraw/zinc/44/59/31/538445931.db2.gz UEPBRPLWDSDATR-UHFFFAOYSA-N 0 3 180.276 2.119 10 30 AEEEHN C=CCc1ccc(CN(C)C)cc1 216028584 541316800 /nfs/dbraw/zinc/31/68/00/541316800.db2.gz QSFMBCJWVWTBGR-UHFFFAOYSA-N 0 3 175.275 2.477 10 30 AEEEHN C=CCCN1C[C@H](C)O[C@@H](C)[C@@H]1C 306485002 541328886 /nfs/dbraw/zinc/32/88/86/541328886.db2.gz NOFOVENCUYLHQP-DCAQKATOSA-N 0 3 183.295 2.060 10 30 AEEEHN C=CCCN1C[C@H](C)O[C@H](C)[C@@H]1C 306485003 541328908 /nfs/dbraw/zinc/32/89/08/541328908.db2.gz NOFOVENCUYLHQP-GARJFASQSA-N 0 3 183.295 2.060 10 30 AEEEHN C=CCCN1C[C@H](C)O[C@@H](C)[C@H]1C 306485001 541328992 /nfs/dbraw/zinc/32/89/92/541328992.db2.gz NOFOVENCUYLHQP-AXFHLTTASA-N 0 3 183.295 2.060 10 30 AEEEHN C=CCCN1C[C@H](C)O[C@H](C)[C@H]1C 306485004 541329112 /nfs/dbraw/zinc/32/91/12/541329112.db2.gz NOFOVENCUYLHQP-HBNTYKKESA-N 0 3 183.295 2.060 10 30 AEEEHN CN(C)Cc1cc(Cl)cc(C#N)c1 669380004 541349035 /nfs/dbraw/zinc/34/90/35/541349035.db2.gz OOPDORJBWCPVFN-UHFFFAOYSA-N 0 3 194.665 2.273 10 30 AEEEHN CC1CCC(N2CC[C@H](C#N)C2)CC1 259716943 757043968 /nfs/dbraw/zinc/04/39/68/757043968.db2.gz MNPPSCNPWNNLIS-MOENNCHZSA-N 0 3 192.306 2.411 10 30 AEEEHN C#C[C@@H](C)N(C)Cc1ccc(C)cc1 769960965 674008649 /nfs/dbraw/zinc/00/86/49/674008649.db2.gz HSKQJWNGLVVPHY-GFCCVEGCSA-N 0 3 187.286 2.449 10 30 AEEEHN CC(C)CC(C#N)C(=O)[C@@H]1C[C@H]1C 252124738 571828352 /nfs/dbraw/zinc/82/83/52/571828352.db2.gz LGQFUMRSAGLCEW-OPRDCNLKSA-N 0 3 179.263 2.397 10 30 AEEEHN CCC(C)(C)N(C)C[C@@H](C)C#N 68997984 572017302 /nfs/dbraw/zinc/01/73/02/572017302.db2.gz SOCRKGWWPJPYCD-VIFPVBQESA-N 0 3 168.284 2.266 10 30 AEEEHN C[C@H]1CCC[C@@H](NCCC#N)[C@@H]1C 36723366 571921819 /nfs/dbraw/zinc/92/18/19/571921819.db2.gz WGVKSWMAJDKYSB-HBNTYKKESA-N 0 3 180.295 2.314 10 30 AEEEHN CCN=CNc1ccccc1 39330109 571922998 /nfs/dbraw/zinc/92/29/98/571922998.db2.gz YTCYQHQYGPZXKU-UHFFFAOYSA-N 0 3 148.209 2.147 10 30 AEEEHN CC(C)[C@@H](C)CN[C@H](C)CC#N 81054587 571970715 /nfs/dbraw/zinc/97/07/15/571970715.db2.gz MVKRHWIYMVPJFG-VHSXEESVSA-N 0 3 168.284 2.170 10 30 AEEEHN C#C[C@@]1(N)CCCCc2ccccc21 687693999 571971624 /nfs/dbraw/zinc/97/16/24/571971624.db2.gz KJDHLFGJWQKEHW-CYBMUJFWSA-N 0 3 185.270 2.200 10 30 AEEEHN CC#C[C@@](C)(N)c1cccc(C)c1 687694919 571979887 /nfs/dbraw/zinc/97/98/87/571979887.db2.gz QMRFFPBDNPVENV-GFCCVEGCSA-N 0 3 173.259 2.192 10 30 AEEEHN C#C[C@@H](NC/C(C)=C/Cl)C(C)C 300846955 571983599 /nfs/dbraw/zinc/98/35/99/571983599.db2.gz DVNYWZIXGCHCDL-OLKPEBQYSA-N 0 3 185.698 2.376 10 30 AEEEHN C[C@H](NCCC#N)[C@H]1C[C@H]2C=C[C@@H]1C2 687768307 571986442 /nfs/dbraw/zinc/98/64/42/571986442.db2.gz OSQJIZIQKDUYLL-NNYUYHANSA-N 0 3 190.290 2.090 10 30 AEEEHN C#C[C@H](NCCOCCCC)C(C)C 300878070 571998346 /nfs/dbraw/zinc/99/83/46/571998346.db2.gz IMBRIYZEJYLXAV-LBPRGKRZSA-N 0 3 197.322 2.051 10 30 AEEEHN CCCCC[C@@H](C=O)N1CCCC1 238207068 572002156 /nfs/dbraw/zinc/00/21/56/572002156.db2.gz HBIVQUOEXBRVHT-NSHDSACASA-N 0 3 183.295 2.230 10 30 AEEEHN CCN(CC1CC1)[C@@H]1CCC[C@@H]1C#N 68946986 572002228 /nfs/dbraw/zinc/00/22/28/572002228.db2.gz FDBUTLQGFUPBBI-VXGBXAGGSA-N 0 3 192.306 2.411 10 30 AEEEHN C=CCNCCSc1ccoc1C 235817689 572003835 /nfs/dbraw/zinc/00/38/35/572003835.db2.gz JOILEBCSOKAZIX-UHFFFAOYSA-N 0 3 197.303 2.456 10 30 AEEEHN CNCC#Cc1c(C)cc(C)cc1F 234361638 572007587 /nfs/dbraw/zinc/00/75/87/572007587.db2.gz BLIZJQUAPNVGFZ-UHFFFAOYSA-N 0 3 191.249 2.013 10 30 AEEEHN CNCC#Cc1c(C)cc(F)cc1C 234361670 572007639 /nfs/dbraw/zinc/00/76/39/572007639.db2.gz KMTMHJXQPRCMGK-UHFFFAOYSA-N 0 3 191.249 2.013 10 30 AEEEHN C#CC[C@H](N)c1nccc2ccccc12 68958956 572009187 /nfs/dbraw/zinc/00/91/87/572009187.db2.gz CINZPXCDXKETBC-LBPRGKRZSA-N 0 3 196.253 2.258 10 30 AEEEHN N#CCCCCN1CCC[C@H]1CF 393456863 572016506 /nfs/dbraw/zinc/01/65/06/572016506.db2.gz JMXQZYLIOXQJPZ-JTQLQIEISA-N 0 3 184.258 2.114 10 30 AEEEHN CC[C@H](N[C@@H](C)CC#N)C(C)C 42588826 572039911 /nfs/dbraw/zinc/03/99/11/572039911.db2.gz VKOMBFHCKDJCAZ-UWVGGRQHSA-N 0 3 168.284 2.313 10 30 AEEEHN CCC(CC)N(C)C[C@@H](C)C#N 36789102 572067290 /nfs/dbraw/zinc/06/72/90/572067290.db2.gz YOQJETCMUMAJAV-VIFPVBQESA-N 0 3 168.284 2.266 10 30 AEEEHN C[C@H]1C[C@@H]1CN(C)[C@@H]1CCC[C@@H]1C#N 82648572 572067318 /nfs/dbraw/zinc/06/73/18/572067318.db2.gz NWOXMUZICPOQAB-IRCOFANPSA-N 0 3 192.306 2.266 10 30 AEEEHN C#CC[C@@H](NCC)c1cc(C)ccn1 82643793 572080451 /nfs/dbraw/zinc/08/04/51/572080451.db2.gz FPMIMPCGNHDJDP-LLVKDONJSA-N 0 3 188.274 2.064 10 30 AEEEHN C=C(CC)C[C@H](N)c1cc(C)n(C)n1 300931147 572083396 /nfs/dbraw/zinc/08/33/96/572083396.db2.gz QYNIAJMAZKDAMO-JTQLQIEISA-N 0 3 193.294 2.085 10 30 AEEEHN CC[C@H](CC#N)N(C)CC(C)C 37108520 572101343 /nfs/dbraw/zinc/10/13/43/572101343.db2.gz VVTIHVAIFOIIPQ-SNVBAGLBSA-N 0 3 168.284 2.266 10 30 AEEEHN CC[C@H](CC1CC1)N[C@H](C)CC#N 69672782 572132440 /nfs/dbraw/zinc/13/24/40/572132440.db2.gz DENCZAOBYMLDCX-MWLCHTKSSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](CC#N)NCC1CC2(CCC2)C1 691880941 757361343 /nfs/dbraw/zinc/36/13/43/757361343.db2.gz LZMGCHAWQMESCC-SNVBAGLBSA-N 0 3 192.306 2.458 10 30 AEEEHN C#CC[C@@H](NCCC)c1ccoc1 69947035 572162801 /nfs/dbraw/zinc/16/28/01/572162801.db2.gz IHIQNKHCOXAUGQ-LLVKDONJSA-N 0 3 177.247 2.344 10 30 AEEEHN C[C@@H](CC#N)NCC1CC2(CCC2)C1 691880940 757366314 /nfs/dbraw/zinc/36/63/14/757366314.db2.gz LZMGCHAWQMESCC-JTQLQIEISA-N 0 3 192.306 2.458 10 30 AEEEHN C#CCCN[C@@H](C)c1ccccc1F 70190964 572192438 /nfs/dbraw/zinc/19/24/38/572192438.db2.gz RTKLOFXJYZKSHT-JTQLQIEISA-N 0 3 191.249 2.500 10 30 AEEEHN C=C(C)[C@H](NC)c1ccnc(C)c1 234403284 572192482 /nfs/dbraw/zinc/19/24/82/572192482.db2.gz UTOHYCACJPZPPC-NSHDSACASA-N 0 3 176.263 2.227 10 30 AEEEHN CC[C@H](CC#N)N[C@H](C)C(C)(C)OC 300972995 572195396 /nfs/dbraw/zinc/19/53/96/572195396.db2.gz JMVDVGYOEKRXTE-NXEZZACHSA-N 0 3 198.310 2.082 10 30 AEEEHN CC[C@@H](CC#N)N[C@@H](C)C(C)(C)OC 300972997 572195422 /nfs/dbraw/zinc/19/54/22/572195422.db2.gz JMVDVGYOEKRXTE-UWVGGRQHSA-N 0 3 198.310 2.082 10 30 AEEEHN N#CCCNC[C@@]12CCCC[C@@H]1C2 693591524 757397124 /nfs/dbraw/zinc/39/71/24/757397124.db2.gz ZKWIKEQQYSWSJR-MNOVXSKESA-N 0 3 178.279 2.070 10 30 AEEEHN N#CCCNC[C@]12CCCC[C@H]1C2 693591528 757399112 /nfs/dbraw/zinc/39/91/12/757399112.db2.gz ZKWIKEQQYSWSJR-WDEREUQCSA-N 0 3 178.279 2.070 10 30 AEEEHN C[C@@]1(C#N)CCN(CCCC2CC2)C1 694595462 757400572 /nfs/dbraw/zinc/40/05/72/757400572.db2.gz WRQQNSIDKZDEHF-LBPRGKRZSA-N 0 3 192.306 2.412 10 30 AEEEHN C[C@]1(C#N)CCN(CCCC2CC2)C1 694595460 757408438 /nfs/dbraw/zinc/40/84/38/757408438.db2.gz WRQQNSIDKZDEHF-GFCCVEGCSA-N 0 3 192.306 2.412 10 30 AEEEHN N#CCCN[C@H]1CCCC2(CC2)C1 695764801 757409804 /nfs/dbraw/zinc/40/98/04/757409804.db2.gz FFJCFFPIOJVJSV-JTQLQIEISA-N 0 3 178.279 2.212 10 30 AEEEHN N#CCCN[C@@H]1CCCC2(CC2)C1 695764810 757416494 /nfs/dbraw/zinc/41/64/94/757416494.db2.gz FFJCFFPIOJVJSV-SNVBAGLBSA-N 0 3 178.279 2.212 10 30 AEEEHN C=CCCOc1ccc(C)cc1CN 70591161 572239700 /nfs/dbraw/zinc/23/97/00/572239700.db2.gz RBMWAQCYDYAEMA-UHFFFAOYSA-N 0 3 191.274 2.409 10 30 AEEEHN [N-]=[N+]=Nc1ccsc1CN 687824137 572460903 /nfs/dbraw/zinc/46/09/03/572460903.db2.gz CDBUUTVTWWCPBH-UHFFFAOYSA-N 0 3 154.198 2.149 10 30 AEEEHN C#C[C@@H](NCCC)c1cccs1 83945022 572460954 /nfs/dbraw/zinc/46/09/54/572460954.db2.gz VLUDFSFFPXAQCR-SECBINFHSA-N 0 3 179.288 2.422 10 30 AEEEHN C(#Cc1ccccc1)CN[C@@H]1C=CCC1 698191596 757444518 /nfs/dbraw/zinc/44/45/18/757444518.db2.gz PMZURDBTNRHGKQ-CQSZACIVSA-N 0 3 197.281 2.346 10 30 AEEEHN C(#Cc1ccccc1)CN[C@H]1C=CCC1 698191595 757446374 /nfs/dbraw/zinc/44/63/74/757446374.db2.gz PMZURDBTNRHGKQ-AWEZNQCLSA-N 0 3 197.281 2.346 10 30 AEEEHN CN1CCC[C@@H]([C@H](C#N)C2CCC2)C1 250569833 572483275 /nfs/dbraw/zinc/48/32/75/572483275.db2.gz DSEKDKQNKHGCLG-VXGBXAGGSA-N 0 3 192.306 2.268 10 30 AEEEHN C=C[C@](C)(CC)[C@@H]1NCCS1 238287288 573117673 /nfs/dbraw/zinc/11/76/73/573117673.db2.gz RTEHPDVQJDWGOA-RKDXNWHRSA-N 0 3 171.309 2.251 10 30 AEEEHN CC(C)(N)[C@H](F)C#Cc1ccccc1 307404453 572537303 /nfs/dbraw/zinc/53/73/03/572537303.db2.gz DILYPOVVKQWZQJ-LLVKDONJSA-N 0 3 191.249 2.114 10 30 AEEEHN C=C[C@H](C)N1CCC(=C)CC1 307422877 572537386 /nfs/dbraw/zinc/53/73/86/572537386.db2.gz NHQLBSXCWVRKMC-JTQLQIEISA-N 0 3 151.253 2.213 10 30 AEEEHN C[C@H](CC#N)NC[C@@]1(C)CCCS1 87620261 572611925 /nfs/dbraw/zinc/61/19/25/572611925.db2.gz ZYOVBSBZAFPMOC-NXEZZACHSA-N 0 3 198.335 2.164 10 30 AEEEHN C=C(C)C(=O)C(C)(C)N(CC)CC 86023879 573236174 /nfs/dbraw/zinc/23/61/74/573236174.db2.gz FTJHDJCYYBYFQA-UHFFFAOYSA-N 0 3 183.295 2.252 10 30 AEEEHN C=C[C@H](C)N1CCCC[C@H](F)C1 307679680 572639423 /nfs/dbraw/zinc/63/94/23/572639423.db2.gz MXPVDYXDSIVPOY-UWVGGRQHSA-N 0 3 171.259 2.385 10 30 AEEEHN C=C[C@@H](C)N1CCCC[C@@H](F)C1 307679679 572641335 /nfs/dbraw/zinc/64/13/35/572641335.db2.gz MXPVDYXDSIVPOY-NXEZZACHSA-N 0 3 171.259 2.385 10 30 AEEEHN C=C[C@H](C)N1C[C@H](C)OC[C@@H]1CC 307612682 572659619 /nfs/dbraw/zinc/65/96/19/572659619.db2.gz ITMJWIGCHQJNKA-DCAQKATOSA-N 0 3 183.295 2.060 10 30 AEEEHN C=C(CC)CNc1ccncc1 306588407 572686567 /nfs/dbraw/zinc/68/65/67/572686567.db2.gz NJMLBQUJCCFSKI-UHFFFAOYSA-N 0 3 162.236 2.460 10 30 AEEEHN C[C@H](N)c1ccc2ccc(C#N)cc2n1 238445943 572722363 /nfs/dbraw/zinc/72/23/63/572722363.db2.gz DQAFILGJUHDPAX-QMMMGPOBSA-N 0 3 197.241 2.126 10 30 AEEEHN CC1CC(CN2CC[C@@](C)(C#N)C2)C1 885610371 757548905 /nfs/dbraw/zinc/54/89/05/757548905.db2.gz VWYLQJAISSDZCK-MCIGGMRASA-N 0 3 192.306 2.268 10 30 AEEEHN CC1(C)C[C@H](NCCC#N)CCS1 885790178 757549480 /nfs/dbraw/zinc/54/94/80/757549480.db2.gz WOJBUKCJXKYHSI-SECBINFHSA-N 0 3 198.335 2.164 10 30 AEEEHN CC1CC(CN2CC[C@](C)(C#N)C2)C1 885610370 757554973 /nfs/dbraw/zinc/55/49/73/757554973.db2.gz VWYLQJAISSDZCK-HTAVTVPLSA-N 0 3 192.306 2.268 10 30 AEEEHN C/C=C\CCN[C@H](CC)CC#N 307935975 572793974 /nfs/dbraw/zinc/79/39/74/572793974.db2.gz TWDMKVCMXDTXCX-TZGMSPROSA-N 0 3 166.268 2.234 10 30 AEEEHN C=C(Cl)CN[C@H](C)[C@H]1C[C@H]1C 307741018 572798054 /nfs/dbraw/zinc/79/80/54/572798054.db2.gz PJYHZHRENOQCRG-VDAHYXPESA-N 0 3 173.687 2.373 10 30 AEEEHN C=C[C@@H](N)[C@@H](C=C)Oc1ccccc1 238561494 572820449 /nfs/dbraw/zinc/82/04/49/572820449.db2.gz CLRRIVYFTBFURX-VXGBXAGGSA-N 0 3 189.258 2.133 10 30 AEEEHN CC#CC[C@H](N)c1cnc(C)cc1C 306984228 572830397 /nfs/dbraw/zinc/83/03/97/572830397.db2.gz LRXIYWCNQQQRJS-LBPRGKRZSA-N 0 3 188.274 2.112 10 30 AEEEHN CC#CCN1CC(C)(C)C1(C)C 1116211442 757592728 /nfs/dbraw/zinc/59/27/28/757592728.db2.gz CGNPHTHFPVAVLR-UHFFFAOYSA-N 0 3 165.280 2.130 10 30 AEEEHN CCCC(C#N)C(=O)C[C@@H]1CCCO1 86314476 572914044 /nfs/dbraw/zinc/91/40/44/572914044.db2.gz QTVYCPYGTONYTN-ZJUUUORDSA-N 0 3 195.262 2.064 10 30 AEEEHN C=CCN[C@@]1(CC=C)CCCCC1=O 238074503 572920366 /nfs/dbraw/zinc/92/03/66/572920366.db2.gz CBCZPVODHYVXRP-LBPRGKRZSA-N 0 3 193.290 2.220 10 30 AEEEHN CC(C)C[C@H](N)[C@H](C#N)C(C)C 238192958 572979320 /nfs/dbraw/zinc/97/93/20/572979320.db2.gz UPYRDBCSJVCZHL-ZJUUUORDSA-N 0 3 168.284 2.156 10 30 AEEEHN CC[C@@H](C#N)[C@H](C(C)C)N(C)C 259308590 573011407 /nfs/dbraw/zinc/01/14/07/573011407.db2.gz DGKNKCDMWLZKEO-UWVGGRQHSA-N 0 3 168.284 2.122 10 30 AEEEHN C=C[C@H](N)c1cc(C#N)c2c(c1)CCC2 238607757 573017770 /nfs/dbraw/zinc/01/77/70/573017770.db2.gz FKTZULCHGZAYPK-ZDUSSCGKSA-N 0 3 198.269 2.233 10 30 AEEEHN C=CCCCCN[C@@H](C)c1cc[nH]n1 308484942 573020884 /nfs/dbraw/zinc/02/08/84/573020884.db2.gz NVXZRGCNDUEMNH-JTQLQIEISA-N 0 3 193.294 2.417 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1CC[C@@H]2C[C@@H]21 308227715 573026167 /nfs/dbraw/zinc/02/61/67/573026167.db2.gz RKYSUVVSIIHLQN-CHWFTXMASA-N 0 3 178.279 2.067 10 30 AEEEHN CN1CCC[C@H]([C@@]2(C#N)CC2(C)C)C1 259034298 573031582 /nfs/dbraw/zinc/03/15/82/573031582.db2.gz RVUHRMUIRDTHII-JQWIXIFHSA-N 0 3 192.306 2.268 10 30 AEEEHN N#CC1C[C@H]2CCCC[C@@H]2CC1=O 141841070 573041885 /nfs/dbraw/zinc/04/18/85/573041885.db2.gz OYRRPLWYELAUOD-OPRDCNLKSA-N 0 3 177.247 2.295 10 30 AEEEHN CCP(CC)[C@@H](C)CC=O 238262301 573042086 /nfs/dbraw/zinc/04/20/86/573042086.db2.gz TWBROMPGUVBNAQ-QMMMGPOBSA-N 0 3 160.197 2.486 10 30 AEEEHN C#C[C@](C)(NCC)c1ccccc1 238257747 573050053 /nfs/dbraw/zinc/05/00/53/573050053.db2.gz SQKATROKTDSHKG-LBPRGKRZSA-N 0 3 173.259 2.145 10 30 AEEEHN CC[C@@H](N)c1cc(F)c(F)cc1C#N 238273763 573054959 /nfs/dbraw/zinc/05/49/59/573054959.db2.gz LISVYRLYPRJDGK-SNVBAGLBSA-N 0 3 196.200 2.246 10 30 AEEEHN C=C[C@H](C)N1CCC[C@H](OCC)C1 308250296 573061592 /nfs/dbraw/zinc/06/15/92/573061592.db2.gz AYTFLDFZLNQYGV-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C[C@H](CC#N)N(C)[C@H](C)C1CCC1 308252517 573084010 /nfs/dbraw/zinc/08/40/10/573084010.db2.gz IMVPIAIFLJJNOQ-NXEZZACHSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@H](C1CCCC1)N(C)CCC#N 308252812 573084129 /nfs/dbraw/zinc/08/41/29/573084129.db2.gz ISALTTYFDGBQPJ-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN CN(C)[C@@H]1CCc2c1csc2C#N 259326986 573093939 /nfs/dbraw/zinc/09/39/39/573093939.db2.gz KSRHKEKUXQXDDF-SECBINFHSA-N 0 3 192.287 2.169 10 30 AEEEHN C#C[C@@H](COC)N[C@@H](C)CCC(C)C 308500252 573094081 /nfs/dbraw/zinc/09/40/81/573094081.db2.gz GEAOPKJBTBMWFP-RYUDHWBXSA-N 0 3 197.322 2.049 10 30 AEEEHN C#CCN[C@@H](c1cccnc1)C(C)C 131950036 573121877 /nfs/dbraw/zinc/12/18/77/573121877.db2.gz PWINRQUUKZWZHH-GFCCVEGCSA-N 0 3 188.274 2.002 10 30 AEEEHN CC(C)[C@H]1CC[C@@H]1NCC1(C#N)CC1 308503307 573146822 /nfs/dbraw/zinc/14/68/22/573146822.db2.gz HPDZTMMGOCGENK-MNOVXSKESA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H]1[C@@H](C#N)CCN1C1CCCC1 259346475 573148179 /nfs/dbraw/zinc/14/81/79/573148179.db2.gz STRZZIGCJCOVCJ-NXEZZACHSA-N 0 3 178.279 2.163 10 30 AEEEHN CCc1ccc([C@H](C)N)c(C#N)c1 238292564 573153908 /nfs/dbraw/zinc/15/39/08/573153908.db2.gz PFTXRSMNVXKPJG-QMMMGPOBSA-N 0 3 174.247 2.140 10 30 AEEEHN CC(C)=CCCN[C@H](C)[C@H](C)C#N 308284666 573158576 /nfs/dbraw/zinc/15/85/76/573158576.db2.gz YMACSCHCUBKWQQ-GHMZBOCLSA-N 0 3 180.295 2.480 10 30 AEEEHN CC(C)=CCCN[C@@H](C)[C@@H](C)C#N 308284668 573162771 /nfs/dbraw/zinc/16/27/71/573162771.db2.gz YMACSCHCUBKWQQ-QWRGUYRKSA-N 0 3 180.295 2.480 10 30 AEEEHN CC(C)(C)CNC[C@@H](C#N)CCC#N 308507225 573162789 /nfs/dbraw/zinc/16/27/89/573162789.db2.gz JFABIDSLNNDUSJ-SNVBAGLBSA-N 0 3 193.294 2.066 10 30 AEEEHN N[C@H](CS)c1ccc(Cl)s1 257958967 573162903 /nfs/dbraw/zinc/16/29/03/573162903.db2.gz BBNGERDMBSRXPM-SCSAIBSYSA-N 0 3 193.724 2.331 10 30 AEEEHN CC(C)CCN1CC[C@H](C#N)[C@H]1C 259348649 573163999 /nfs/dbraw/zinc/16/39/99/573163999.db2.gz SYFZVRQZENPTSC-GHMZBOCLSA-N 0 3 180.295 2.266 10 30 AEEEHN C=C[C@@H](N)c1ccc(C)cc1[N+](=O)[O-] 104683850 573186935 /nfs/dbraw/zinc/18/69/35/573186935.db2.gz VJIVWJSSZSJBRY-SECBINFHSA-N 0 3 192.218 2.089 10 30 AEEEHN C[C@H]1[C@@H](C#N)CCN1C(C)(C)C 259361223 573194380 /nfs/dbraw/zinc/19/43/80/573194380.db2.gz UJKUTJXRHOCWBN-DTWKUNHWSA-N 0 3 166.268 2.019 10 30 AEEEHN CC[C@@H]1CCN(CC(C)(C)C#N)C1 405170791 573199326 /nfs/dbraw/zinc/19/93/26/573199326.db2.gz NJTGLXRSOPFABX-SNVBAGLBSA-N 0 3 180.295 2.268 10 30 AEEEHN CC[C@H](N)c1cc(C)c(F)cc1C#N 238311091 573202296 /nfs/dbraw/zinc/20/22/96/573202296.db2.gz YQTSJSLAUZJEKU-NSHDSACASA-N 0 3 192.237 2.416 10 30 AEEEHN C#CC(C)(C)NCc1cccc(C)c1 69678200 573202529 /nfs/dbraw/zinc/20/25/29/573202529.db2.gz NOQAFKNQPYDCTA-UHFFFAOYSA-N 0 3 187.286 2.496 10 30 AEEEHN CC(C)(N)C#Cc1cc(F)ccc1F 69678775 573202637 /nfs/dbraw/zinc/20/26/37/573202637.db2.gz NUNXQLDSVAQBCS-UHFFFAOYSA-N 0 3 195.212 2.054 10 30 AEEEHN Cc1ccc(C)c([C@@H]([S-])C[NH3+])c1 259370539 573204868 /nfs/dbraw/zinc/20/48/68/573204868.db2.gz VMNCNYXAWJXTIP-JTQLQIEISA-N 0 3 181.304 2.233 10 30 AEEEHN CC[C@H](N)c1cc(C)ccc1C#N 238311412 573204885 /nfs/dbraw/zinc/20/48/85/573204885.db2.gz JOHAEJLOESCLHL-NSHDSACASA-N 0 3 174.247 2.277 10 30 AEEEHN CC(C)N1CCCC[C@H](C#N)[C@H]1C 259603535 573207931 /nfs/dbraw/zinc/20/79/31/573207931.db2.gz FIVITXLVCCJEQQ-GHMZBOCLSA-N 0 3 180.295 2.409 10 30 AEEEHN CCCC[C@H](C)N[C@H](C)CC#N 50888552 573218089 /nfs/dbraw/zinc/21/80/89/573218089.db2.gz UGXBVODPYZXGKL-VHSXEESVSA-N 0 3 168.284 2.457 10 30 AEEEHN CCCC[C@@H](C)N[C@@H](C)CC#N 50888549 573219002 /nfs/dbraw/zinc/21/90/02/573219002.db2.gz UGXBVODPYZXGKL-ZJUUUORDSA-N 0 3 168.284 2.457 10 30 AEEEHN CC[C@@H](CC#N)N1C[C@@H](C)[C@@H](C)C1 86009958 573224228 /nfs/dbraw/zinc/22/42/28/573224228.db2.gz OSCITJKPULKQAL-AXFHLTTASA-N 0 3 180.295 2.266 10 30 AEEEHN CN1CCC[C@H](C2(C#N)CCC2)C1 259382394 573224325 /nfs/dbraw/zinc/22/43/25/573224325.db2.gz VWSWBEHRGIQIFJ-JTQLQIEISA-N 0 3 178.279 2.022 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@@H](N)[C@H](C)CC 715704385 573224363 /nfs/dbraw/zinc/22/43/63/573224363.db2.gz JLJQTFXEFPQRNG-UTLUCORTSA-N 0 3 183.295 2.141 10 30 AEEEHN CC[C@H](CC#N)N1C[C@@H](C)[C@@H](C)C1 86009959 573226901 /nfs/dbraw/zinc/22/69/01/573226901.db2.gz OSCITJKPULKQAL-OUAUKWLOSA-N 0 3 180.295 2.266 10 30 AEEEHN CC[C@@H](C)N(C[C@@H](C)C#N)C1CC1 308312518 573227910 /nfs/dbraw/zinc/22/79/10/573227910.db2.gz SGYBLJJOVDZSHO-VHSXEESVSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H](C)N(C[C@H](C)C#N)C1CC1 308312519 573229447 /nfs/dbraw/zinc/22/94/47/573229447.db2.gz SGYBLJJOVDZSHO-ZJUUUORDSA-N 0 3 180.295 2.409 10 30 AEEEHN N#CCC[C@@H](N)c1ccc(F)c(F)c1 259390045 573234522 /nfs/dbraw/zinc/23/45/22/573234522.db2.gz LIYKGOZZHGSGIK-SNVBAGLBSA-N 0 3 196.200 2.268 10 30 AEEEHN C=C(C)C(=O)C1(N(C)C)CCCC1 86024029 573235908 /nfs/dbraw/zinc/23/59/08/573235908.db2.gz JVIVZIGIDWHIBM-UHFFFAOYSA-N 0 3 181.279 2.006 10 30 AEEEHN C=CCN[C@@H](C)c1ccc(C#N)s1 308324758 573240719 /nfs/dbraw/zinc/24/07/19/573240719.db2.gz DUXWZZLWGASROM-QMMMGPOBSA-N 0 3 192.287 2.456 10 30 AEEEHN C=CCN[C@H](C)c1ccc(C#N)s1 308324755 573241080 /nfs/dbraw/zinc/24/10/80/573241080.db2.gz DUXWZZLWGASROM-MRVPVSSYSA-N 0 3 192.287 2.456 10 30 AEEEHN CC[C@H](N)c1ccc(C)cc1C#N 238315429 573241413 /nfs/dbraw/zinc/24/14/13/573241413.db2.gz UOMOHAJPYPQODM-NSHDSACASA-N 0 3 174.247 2.277 10 30 AEEEHN C=CC[C@H](C)C(=O)CNCC(C)C 715724933 573241441 /nfs/dbraw/zinc/24/14/41/573241441.db2.gz LPOLMZLSWREMHP-JTQLQIEISA-N 0 3 183.295 2.013 10 30 AEEEHN CN/C=C1\C=CC(=O)C2=CC=CC=C1C2 238315817 573242097 /nfs/dbraw/zinc/24/20/97/573242097.db2.gz RIBYTVXGXUWGTJ-FMIVXFBMSA-N 0 3 199.253 2.041 10 30 AEEEHN C=CC[C@@H](C)C(=O)[C@@H]1CCCCCN1 715723590 573242193 /nfs/dbraw/zinc/24/21/93/573242193.db2.gz SPSXDKGSKUIEBC-MNOVXSKESA-N 0 3 195.306 2.300 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@@H]1CCCCCN1 715723594 573242650 /nfs/dbraw/zinc/24/26/50/573242650.db2.gz SPSXDKGSKUIEBC-QWRGUYRKSA-N 0 3 195.306 2.300 10 30 AEEEHN CC(C)CNC[C@@H](C#N)C(C)C 258608692 573243641 /nfs/dbraw/zinc/24/36/41/573243641.db2.gz IEOZZXFPNKSADW-SNVBAGLBSA-N 0 3 168.284 2.028 10 30 AEEEHN C=CC[C@@H](C)C(=O)C1(NC)CCCC1 715725120 573243756 /nfs/dbraw/zinc/24/37/56/573243756.db2.gz XSELCBJMFUCUHI-SNVBAGLBSA-N 0 3 195.306 2.300 10 30 AEEEHN CN=CNc1ccc(C)c(C)c1 238315549 573245582 /nfs/dbraw/zinc/24/55/82/573245582.db2.gz JEYCMBAZDDHZRA-UHFFFAOYSA-N 0 3 162.236 2.183 10 30 AEEEHN C[C@H](NCC(C)(C)C#N)C1(C)CC1 129194595 573253998 /nfs/dbraw/zinc/25/39/98/573253998.db2.gz WBPNMAXCQZEBFV-VIFPVBQESA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@H](N)c1cnc(Cl)cc1C#N 238319590 573256841 /nfs/dbraw/zinc/25/68/41/573256841.db2.gz LCZNRULLVOHSEY-QMMMGPOBSA-N 0 3 195.653 2.016 10 30 AEEEHN [NH3+]C[C@H]([S-])c1ccc2c(c1)CCC2 259052445 573256866 /nfs/dbraw/zinc/25/68/66/573256866.db2.gz ATKGIWFZKHUZQU-NSHDSACASA-N 0 3 193.315 2.105 10 30 AEEEHN C=CCc1c(C)cc(NC)nc1NC 238326665 573260016 /nfs/dbraw/zinc/26/00/16/573260016.db2.gz ZWNHJQBGHXARCU-UHFFFAOYSA-N 0 3 191.278 2.202 10 30 AEEEHN C=CCNCc1cnc(C2CC2)s1 308332585 573261139 /nfs/dbraw/zinc/26/11/39/573261139.db2.gz LPTUWGBISFYBPT-UHFFFAOYSA-N 0 3 194.303 2.296 10 30 AEEEHN C[C@H](NC(C)(C)C1CC1)[C@@H](C)C#N 308332862 573261349 /nfs/dbraw/zinc/26/13/49/573261349.db2.gz LSIIWZXISZYAGK-IUCAKERBSA-N 0 3 180.295 2.313 10 30 AEEEHN C=CC[C@@H](N)C(=O)CC1(C)CCC1 308338811 573270340 /nfs/dbraw/zinc/27/03/40/573270340.db2.gz PRWWFEBQTPYICA-SECBINFHSA-N 0 3 181.279 2.039 10 30 AEEEHN CN[C@H](C)c1cc(C)ccc1C#N 238330086 573270442 /nfs/dbraw/zinc/27/04/42/573270442.db2.gz ZGXMANVAPJMKTR-SECBINFHSA-N 0 3 174.247 2.147 10 30 AEEEHN C=C(CC)CN1CCC[C@H]1CF 393499058 573273054 /nfs/dbraw/zinc/27/30/54/573273054.db2.gz XMIFQDFEVNIFLQ-JTQLQIEISA-N 0 3 171.259 2.387 10 30 AEEEHN CN[C@@H](CCS)c1ccccc1F 259066826 573283701 /nfs/dbraw/zinc/28/37/01/573283701.db2.gz HINFPKUMPRLPLD-JTQLQIEISA-N 0 3 199.294 2.406 10 30 AEEEHN CN[C@H](CCS)c1ccccc1F 259066828 573285260 /nfs/dbraw/zinc/28/52/60/573285260.db2.gz HINFPKUMPRLPLD-SNVBAGLBSA-N 0 3 199.294 2.406 10 30 AEEEHN CCOc1ccc([C@@H]([S-])C[NH3+])cc1 259403907 573285347 /nfs/dbraw/zinc/28/53/47/573285347.db2.gz XRUBYQPEWKFEPX-JTQLQIEISA-N 0 3 197.303 2.015 10 30 AEEEHN CCOc1ccc([C@H]([S-])C[NH3+])cc1 259403910 573286317 /nfs/dbraw/zinc/28/63/17/573286317.db2.gz XRUBYQPEWKFEPX-SNVBAGLBSA-N 0 3 197.303 2.015 10 30 AEEEHN C=CC[C@@H](C)C(=O)[C@@H](N)CC=C(C)C 715758432 573293915 /nfs/dbraw/zinc/29/39/15/573293915.db2.gz NBVHYVUBEKAURI-MNOVXSKESA-N 0 3 195.306 2.451 10 30 AEEEHN CCNCC#Cc1ccc(C)c(F)c1 223970218 573296981 /nfs/dbraw/zinc/29/69/81/573296981.db2.gz JEZFADJIYWBTMO-UHFFFAOYSA-N 0 3 191.249 2.095 10 30 AEEEHN CC(C)CN1CCCC[C@@H]1CC#N 259408890 573305925 /nfs/dbraw/zinc/30/59/25/573305925.db2.gz YKYQROJHITZTTM-LLVKDONJSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)(C)[C@H](N)C1(C#N)CCC1 259606299 573308472 /nfs/dbraw/zinc/30/84/72/573308472.db2.gz XGJZDGVAJZEWIF-QMMMGPOBSA-N 0 3 166.268 2.054 10 30 AEEEHN CN[C@@]1(C)CC[C@@H](C(C)C)CC1=NO 308344132 573314326 /nfs/dbraw/zinc/31/43/26/573314326.db2.gz SMRCKJQNYXIPKU-KOLCDFICSA-N 0 3 198.310 2.251 10 30 AEEEHN CC#CCNC1C(C)(C)C1(C)C 86240130 573328230 /nfs/dbraw/zinc/32/82/30/573328230.db2.gz FYWZEVXLBBQDOR-UHFFFAOYSA-N 0 3 165.280 2.034 10 30 AEEEHN C=CCC[C@@H](C)N1CCO[C@@H](C)C1 308345880 573337550 /nfs/dbraw/zinc/33/75/50/573337550.db2.gz VEVHQVQHRVLZEF-MNOVXSKESA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(Cl)CNC[C@H](C)C1CC1 132790712 573338846 /nfs/dbraw/zinc/33/88/46/573338846.db2.gz IDCCZBQEKFRSPG-ZETCQYMHSA-N 0 3 173.687 2.375 10 30 AEEEHN Cc1ccc([C@@H]([S-])C[NH3+])cc1C 259423000 573344955 /nfs/dbraw/zinc/34/49/55/573344955.db2.gz ZCJOAYFAYPNPCX-JTQLQIEISA-N 0 3 181.304 2.233 10 30 AEEEHN NC1(C(=O)C2=CCCCC2)CCCC1 236173520 573345986 /nfs/dbraw/zinc/34/59/86/573345986.db2.gz MSMSOYDUDZUAMO-UHFFFAOYSA-N 0 3 193.290 2.327 10 30 AEEEHN 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182.292 2.215 10 30 AEEEHN C=C(C)CC(=O)C1(N(C)C)CCCC1 86024035 572844824 /nfs/dbraw/zinc/84/48/24/572844824.db2.gz WUTXEIBWXHHPPX-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN C=CCSc1nc(C)ccc1CN 308172476 572892228 /nfs/dbraw/zinc/89/22/28/572892228.db2.gz CWRAKOIQWIHFJJ-UHFFFAOYSA-N 0 3 194.303 2.127 10 30 AEEEHN CC[C@@H]1CC[C@H]1N[C@H](C)CC#N 307969857 572890026 /nfs/dbraw/zinc/89/00/26/572890026.db2.gz GDOAQTWHNCDRGO-OPRDCNLKSA-N 0 3 166.268 2.067 10 30 AEEEHN C=Cc1cccc([C@H]2CNC[C@H]2C#N)c1 238137832 572941380 /nfs/dbraw/zinc/94/13/80/572941380.db2.gz NVTOAEYFZBBJAZ-CHWSQXEVSA-N 0 3 198.269 2.156 10 30 AEEEHN Cc1ccc(C#N)cc1NC1=NCCC1 86455348 572941422 /nfs/dbraw/zinc/94/14/22/572941422.db2.gz MBGIPCSQARNTQT-UHFFFAOYSA-N 0 3 199.257 2.280 10 30 AEEEHN CC(C)C[C@@H](N)[C@@H](C#N)C(C)C 238138644 572941516 /nfs/dbraw/zinc/94/15/16/572941516.db2.gz UPYRDBCSJVCZHL-VHSXEESVSA-N 0 3 168.284 2.156 10 30 AEEEHN C=C[C@H](N)c1cccnc1OC(C)C 238166959 572961026 /nfs/dbraw/zinc/96/10/26/572961026.db2.gz LLTGZUAUHPQLTD-JTQLQIEISA-N 0 3 192.262 2.055 10 30 AEEEHN C=C(CC=O)[C@@H]1CCCCN1CC 258212264 572999921 /nfs/dbraw/zinc/99/99/21/572999921.db2.gz OBMVYZORGBMOIY-NSHDSACASA-N 0 3 181.279 2.006 10 30 AEEEHN CN(C)[C@H](C1CCC1)C1(C#N)CC1 259518410 573591355 /nfs/dbraw/zinc/59/13/55/573591355.db2.gz MNZRETXPFLFFOJ-SNVBAGLBSA-N 0 3 178.279 2.020 10 30 AEEEHN CC(C#N)C(=O)C(C1CC1)C1CC1 308232360 573024599 /nfs/dbraw/zinc/02/45/99/573024599.db2.gz UDMXGJNKOYIKBM-SSDOTTSWSA-N 0 3 177.247 2.151 10 30 AEEEHN CN1CCC[C@@H]([C@@]2(C#N)CC2(C)C)C1 259034303 573030403 /nfs/dbraw/zinc/03/04/03/573030403.db2.gz RVUHRMUIRDTHII-PWSUYJOCSA-N 0 3 192.306 2.268 10 30 AEEEHN O=CC/C=C/CN1CCCCCC1 259521180 573593871 /nfs/dbraw/zinc/59/38/71/573593871.db2.gz AHOYLEXOWCNBJA-ZZXKWVIFSA-N 0 3 181.279 2.008 10 30 AEEEHN CCCCCCC#CNC 104605617 573063192 /nfs/dbraw/zinc/06/31/92/573063192.db2.gz GZMXDMODXCMEIC-UHFFFAOYSA-N 0 3 139.242 2.137 10 30 AEEEHN CC#CCCCCNCC1(C#N)CC1 308494226 573069246 /nfs/dbraw/zinc/06/92/46/573069246.db2.gz CRWBMZQBOSAZHK-UHFFFAOYSA-N 0 3 190.290 2.073 10 30 AEEEHN CC(C)(C)ON=Cc1cccc(N)c1 308261577 573114053 /nfs/dbraw/zinc/11/40/53/573114053.db2.gz LLHYIRSTSWXIBX-UHFFFAOYSA-N 0 3 192.262 2.418 10 30 AEEEHN C[C@]1(F)CCN(CCCCC#N)C1 308277740 573135120 /nfs/dbraw/zinc/13/51/20/573135120.db2.gz VUBUKUJRIOFFFT-JTQLQIEISA-N 0 3 184.258 2.114 10 30 AEEEHN C=C[C@@H](N)c1cc(C)cnc1Cl 104666203 573150940 /nfs/dbraw/zinc/15/09/40/573150940.db2.gz UUWIRHSLTZSIMB-MRVPVSSYSA-N 0 3 182.654 2.229 10 30 AEEEHN CC(C)[C@H](C)CNCC(C)(C)C#N 308295975 573183234 /nfs/dbraw/zinc/18/32/34/573183234.db2.gz VJTPHCHIZPGTCF-SNVBAGLBSA-N 0 3 182.311 2.418 10 30 AEEEHN CCCCCNCC1(C#N)CCC1 258577719 573195761 /nfs/dbraw/zinc/19/57/61/573195761.db2.gz DVLZSNCBLBBXCS-UHFFFAOYSA-N 0 3 180.295 2.460 10 30 AEEEHN CC[C@H](C#N)[C@@H](NC)C(C)(C)C 259364827 573196133 /nfs/dbraw/zinc/19/61/33/573196133.db2.gz URXXDPILDLCGCN-RKDXNWHRSA-N 0 3 168.284 2.170 10 30 AEEEHN CC[C@@H](C#N)CN1CCCCCC1 258586178 573211972 /nfs/dbraw/zinc/21/19/72/573211972.db2.gz FTELDKOUXGWJGN-NSHDSACASA-N 0 3 180.295 2.412 10 30 AEEEHN CN[C@@H]([C@H](C#N)C(C)C)C(C)(C)C 259376142 573212189 /nfs/dbraw/zinc/21/21/89/573212189.db2.gz VKXZQBCZQUZUKS-ZJUUUORDSA-N 0 3 182.311 2.416 10 30 AEEEHN CCCC[C@H](C)N[C@@H](C)CC#N 50888550 573216740 /nfs/dbraw/zinc/21/67/40/573216740.db2.gz UGXBVODPYZXGKL-UWVGGRQHSA-N 0 3 168.284 2.457 10 30 AEEEHN CCCC[C@@H](C)N[C@H](C)CC#N 50888551 573217162 /nfs/dbraw/zinc/21/71/62/573217162.db2.gz UGXBVODPYZXGKL-NXEZZACHSA-N 0 3 168.284 2.457 10 30 AEEEHN CC[C@H](N)c1c(F)cccc1C#N 238308974 573217187 /nfs/dbraw/zinc/21/71/87/573217187.db2.gz YMLDITFWXFFGQJ-VIFPVBQESA-N 0 3 178.210 2.107 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@H](N)[C@@H](C)CC 715704384 573222772 /nfs/dbraw/zinc/22/27/72/573222772.db2.gz JLJQTFXEFPQRNG-LPEHRKFASA-N 0 3 183.295 2.141 10 30 AEEEHN CC[C@@H](C)N(C[C@H](C)C#N)C1CC1 308312516 573228857 /nfs/dbraw/zinc/22/88/57/573228857.db2.gz SGYBLJJOVDZSHO-NXEZZACHSA-N 0 3 180.295 2.409 10 30 AEEEHN N#C[C@H]1CCCCN2CCCC[C@H]12 259388586 573236189 /nfs/dbraw/zinc/23/61/89/573236189.db2.gz AFJVTMUMNAMKQZ-GHMZBOCLSA-N 0 3 178.279 2.165 10 30 AEEEHN C=C(C)C(=O)C(C)(C)N1CCCC1 86023886 573236576 /nfs/dbraw/zinc/23/65/76/573236576.db2.gz FMNJFAPICQGMOA-UHFFFAOYSA-N 0 3 181.279 2.006 10 30 AEEEHN CC(C)CNC[C@H](C#N)C(C)C 258608688 573244015 /nfs/dbraw/zinc/24/40/15/573244015.db2.gz IEOZZXFPNKSADW-JTQLQIEISA-N 0 3 168.284 2.028 10 30 AEEEHN CN=CNc1ccc(SC)cc1 238315622 573244062 /nfs/dbraw/zinc/24/40/62/573244062.db2.gz AXWQXKYLOMQBAE-UHFFFAOYSA-N 0 3 180.276 2.288 10 30 AEEEHN C=CC[C@@H](C)[C@H](N)c1ccsn1 715725684 573244121 /nfs/dbraw/zinc/24/41/21/573244121.db2.gz ZZYWNTNPRPCQFE-APPZFPTMSA-N 0 3 182.292 2.355 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@H]1CCCCCN1 715723598 573244442 /nfs/dbraw/zinc/24/44/42/573244442.db2.gz SPSXDKGSKUIEBC-WDEREUQCSA-N 0 3 195.306 2.300 10 30 AEEEHN C=C(C)C[C@H](N)c1ncccc1C 86061249 573244500 /nfs/dbraw/zinc/24/45/00/573244500.db2.gz KKQWBDVWFHCIFN-JTQLQIEISA-N 0 3 176.263 2.356 10 30 AEEEHN C=CCCCCN[C@H](C)[C@@H](C)C#N 308329370 573258527 /nfs/dbraw/zinc/25/85/27/573258527.db2.gz JLLLWUNFBTWRAP-WDEREUQCSA-N 0 3 180.295 2.480 10 30 AEEEHN C=CCCCCN[C@@H](C)[C@@H](C)C#N 308329368 573258141 /nfs/dbraw/zinc/25/81/41/573258141.db2.gz JLLLWUNFBTWRAP-QWRGUYRKSA-N 0 3 180.295 2.480 10 30 AEEEHN CC[C@](C)(N)c1ccc(F)cc1C#N 306229634 573258375 /nfs/dbraw/zinc/25/83/75/573258375.db2.gz IIQQDYMZYGWIAT-NSHDSACASA-N 0 3 192.237 2.281 10 30 AEEEHN CC[C@H](C)O/N=C/c1ccc(N)cc1 308331902 573262840 /nfs/dbraw/zinc/26/28/40/573262840.db2.gz DMGIVDOOVJSATD-ITTMYVLYSA-N 0 3 192.262 2.418 10 30 AEEEHN C=C(CC)CNC/C=C\Cl 313489904 573277566 /nfs/dbraw/zinc/27/75/66/573277566.db2.gz UIHWJUZUPFOZAR-PLNGDYQASA-N 0 3 159.660 2.295 10 30 AEEEHN CC1(C)CN(C2CC2)CC[C@@H]1C#N 259405618 573290262 /nfs/dbraw/zinc/29/02/62/573290262.db2.gz YACLDVWTHNTOIK-SECBINFHSA-N 0 3 178.279 2.020 10 30 AEEEHN CN[C@H](C1CCC1)[C@@H](C#N)C(C)C 259081847 573312329 /nfs/dbraw/zinc/31/23/29/573312329.db2.gz CQDJTNCPEUSWRS-WDEREUQCSA-N 0 3 180.295 2.170 10 30 AEEEHN CC[C@@H]1[C@@H](C#N)CCCN1C(C)C 259607214 573312077 /nfs/dbraw/zinc/31/20/77/573312077.db2.gz FPWGEKZNWGHORX-GHMZBOCLSA-N 0 3 180.295 2.409 10 30 AEEEHN C=C[C@H](NC)c1sccc1OC 130565743 573601838 /nfs/dbraw/zinc/60/18/38/573601838.db2.gz YPBXXCHLXIWWDZ-ZETCQYMHSA-N 0 3 183.276 2.203 10 30 AEEEHN CN[C@@H](C1CCC1)[C@@H](C#N)C(C)C 259081846 573313115 /nfs/dbraw/zinc/31/31/15/573313115.db2.gz CQDJTNCPEUSWRS-QWRGUYRKSA-N 0 3 180.295 2.170 10 30 AEEEHN C=CCC[C@H](C)N1CCO[C@H](C)C1 308345882 573333583 /nfs/dbraw/zinc/33/35/83/573333583.db2.gz VEVHQVQHRVLZEF-WDEREUQCSA-N 0 3 183.295 2.062 10 30 AEEEHN COc1ccc(NC=NC(C)C)cc1 238355984 573336694 /nfs/dbraw/zinc/33/66/94/573336694.db2.gz WNHZPOBEEBZAPP-UHFFFAOYSA-N 0 3 192.262 2.353 10 30 AEEEHN NC1(C(=O)C2=CCCCCC2)CCC1 236173929 573336946 /nfs/dbraw/zinc/33/69/46/573336946.db2.gz ONXCHCLNYFQBLI-UHFFFAOYSA-N 0 3 193.290 2.327 10 30 AEEEHN C=CCC/C=C(\C)C[C@@H]1COCCN1 308364030 573361072 /nfs/dbraw/zinc/36/10/72/573361072.db2.gz KHYLWTDMWJJBFC-IGEMTJHASA-N 0 3 195.306 2.277 10 30 AEEEHN C=C(C)[C@H](NC)c1ccncc1CC 133000155 573363373 /nfs/dbraw/zinc/36/33/73/573363373.db2.gz CTKLIAMJTZGFTC-LBPRGKRZSA-N 0 3 190.290 2.481 10 30 AEEEHN CC(C)N1CCC[C@@H]1/C=C\CC=O 258321957 573369579 /nfs/dbraw/zinc/36/95/79/573369579.db2.gz WHFUCNADJWHOAD-UUSYTGMJSA-N 0 3 181.279 2.004 10 30 AEEEHN N#CCCN[C@H]1CCCC12CCC2 307143215 573380609 /nfs/dbraw/zinc/38/06/09/573380609.db2.gz GKYUOXQGVDMUKE-JTQLQIEISA-N 0 3 178.279 2.212 10 30 AEEEHN C=C[C@H](N)c1cnc(Cl)c(F)c1 211717390 573381078 /nfs/dbraw/zinc/38/10/78/573381078.db2.gz FZLDRAVJJWMUHQ-ZETCQYMHSA-N 0 3 186.617 2.060 10 30 AEEEHN C=CC[C@@H](C)C(=O)[C@@](C)(CC)N(C)C 715790541 573390228 /nfs/dbraw/zinc/39/02/28/573390228.db2.gz ZRGMNRGFEJCUKV-ZYHUDNBSSA-N 0 3 197.322 2.498 10 30 AEEEHN C/C=C\CCNCc1ccc(C#N)o1 308379180 573392365 /nfs/dbraw/zinc/39/23/65/573392365.db2.gz RHPPVOAUJZKSGE-IHWYPQMZSA-N 0 3 190.246 2.207 10 30 AEEEHN C[C@@H](N)c1cc2cc(C#N)ccc2[nH]1 238386520 573397914 /nfs/dbraw/zinc/39/79/14/573397914.db2.gz YEHFWFGHPNICRY-SSDOTTSWSA-N 0 3 185.230 2.059 10 30 AEEEHN CC[C@@H](C#N)CNCC(C)(C)C 259101771 573409187 /nfs/dbraw/zinc/40/91/87/573409187.db2.gz WXTLXZZLJICVBG-VIFPVBQESA-N 0 3 168.284 2.172 10 30 AEEEHN C=CCCC[C@H](C)NCc1cc[nH]n1 133583019 573417645 /nfs/dbraw/zinc/41/76/45/573417645.db2.gz WRHQANZPZXIFQX-JTQLQIEISA-N 0 3 193.294 2.244 10 30 AEEEHN N#CCc1cccc2cnc(C3CC3)n12 214886803 573422028 /nfs/dbraw/zinc/42/20/28/573422028.db2.gz SYJCAWWJSQSELN-UHFFFAOYSA-N 0 3 197.241 2.278 10 30 AEEEHN CC(C)[C@@H]1[C@H](C#N)CCCCN1C 259611134 573421395 /nfs/dbraw/zinc/42/13/95/573421395.db2.gz FXKJPERAFLWBCL-WDEREUQCSA-N 0 3 180.295 2.266 10 30 AEEEHN C=C(CC)C[C@@H](NC)c1cncn1C 126193120 573426792 /nfs/dbraw/zinc/42/67/92/573426792.db2.gz HKAKSYPSEATJLK-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN CCN1CCCC[C@@H]1/C=C\CC=O 258359167 573453941 /nfs/dbraw/zinc/45/39/41/573453941.db2.gz ZBMLCEFTGMQRHW-LAUIRUGDSA-N 0 3 181.279 2.006 10 30 AEEEHN CCCCCNC[C@@H](C#N)CC 258661059 573453327 /nfs/dbraw/zinc/45/33/27/573453327.db2.gz NQRMFJGQFDFVHE-SNVBAGLBSA-N 0 3 168.284 2.316 10 30 AEEEHN CN[C@H](CCC#N)c1ccc(F)cc1 259457846 573461439 /nfs/dbraw/zinc/46/14/39/573461439.db2.gz PKLPANNJYIEUMZ-LLVKDONJSA-N 0 3 192.237 2.390 10 30 AEEEHN CC(C)[C@H](N(C)C)C(C)(C)C#N 259464166 573467641 /nfs/dbraw/zinc/46/76/41/573467641.db2.gz JVJFVSMZDGWQCO-VIFPVBQESA-N 0 3 168.284 2.122 10 30 AEEEHN CC[C@@H](C1CC1)N(C)C[C@H](C)C#N 308391219 573472207 /nfs/dbraw/zinc/47/22/07/573472207.db2.gz ZRNRUERDIVCKGX-KOLCDFICSA-N 0 3 180.295 2.266 10 30 AEEEHN C#C[C@@H](CCC)NC/C=C\Cl 393528083 573484193 /nfs/dbraw/zinc/48/41/93/573484193.db2.gz GYVATWKDBBPUHH-PGBBXKAQSA-N 0 3 171.671 2.130 10 30 AEEEHN CCCCN1CC[C@H](C#N)[C@H]1C 259110688 573505124 /nfs/dbraw/zinc/50/51/24/573505124.db2.gz BGZGMPRIHNCFRC-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN CN[C@@H](C1CCCC1)C(C)(C)C#N 259483554 573514819 /nfs/dbraw/zinc/51/48/19/573514819.db2.gz QVFPFAWKRKAEHS-JTQLQIEISA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@@H](C)NC[C@H](C#N)C(C)C 258725935 573514530 /nfs/dbraw/zinc/51/45/30/573514530.db2.gz UTCGEVAZASEDCD-ZJUUUORDSA-N 0 3 168.284 2.170 10 30 AEEEHN CC(C)[C@@H](C#N)CNC1CCCC1 258742528 573524059 /nfs/dbraw/zinc/52/40/59/573524059.db2.gz WGINMZKZNNUWKO-JTQLQIEISA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)N1C[C@H](C#N)CCC1(C)C 259513759 573567391 /nfs/dbraw/zinc/56/73/91/573567391.db2.gz USPZFBLRNLRRDQ-JTQLQIEISA-N 0 3 180.295 2.409 10 30 AEEEHN N#C[C@H]1CCN[C@H](c2cccs2)C1 259518986 573588916 /nfs/dbraw/zinc/58/89/16/573588916.db2.gz ARBYXYMCOCCXAI-IUCAKERBSA-N 0 3 192.287 2.312 10 30 AEEEHN C=CCCN[C@H](C)c1ccncc1F 308640737 573589135 /nfs/dbraw/zinc/58/91/35/573589135.db2.gz DRFUGVAKZNTVRB-SECBINFHSA-N 0 3 194.253 2.447 10 30 AEEEHN N#C[C@@H]1CCN[C@H](c2cccs2)C1 259518982 573593086 /nfs/dbraw/zinc/59/30/86/573593086.db2.gz ARBYXYMCOCCXAI-BDAKNGLRSA-N 0 3 192.287 2.312 10 30 AEEEHN C=C[C@@H](NC)c1sccc1OC 130565966 573599300 /nfs/dbraw/zinc/59/93/00/573599300.db2.gz YPBXXCHLXIWWDZ-SSDOTTSWSA-N 0 3 183.276 2.203 10 30 AEEEHN C[C@@H]1CCCCCC(C#N)C1=O 238449151 573613318 /nfs/dbraw/zinc/61/33/18/573613318.db2.gz NXMXOUJCNASUPJ-BDAKNGLRSA-N 0 3 165.236 2.295 10 30 AEEEHN C=CC[C@@H](C)NCc1cccnc1F 308643012 573614539 /nfs/dbraw/zinc/61/45/39/573614539.db2.gz FVRRCMOSSLNCES-SECBINFHSA-N 0 3 194.253 2.275 10 30 AEEEHN CCCCN1CC[C@H](C#N)C1(C)C 259528544 573613989 /nfs/dbraw/zinc/61/39/89/573613989.db2.gz VTVPGEFZBPVVAJ-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN O=C(C1=CCCCC1)[C@@H]1CCCCN1 236408971 573616647 /nfs/dbraw/zinc/61/66/47/573616647.db2.gz OQBOMXTVUDAOAA-NSHDSACASA-N 0 3 193.290 2.198 10 30 AEEEHN C=CC[C@H](C)NCc1cccnc1F 308643013 573616698 /nfs/dbraw/zinc/61/66/98/573616698.db2.gz FVRRCMOSSLNCES-VIFPVBQESA-N 0 3 194.253 2.275 10 30 AEEEHN C=C[C@@H](NC)c1ccc(F)c(OC)c1 130617482 573622109 /nfs/dbraw/zinc/62/21/09/573622109.db2.gz PQLGEFIBLDEDBM-SNVBAGLBSA-N 0 3 195.237 2.281 10 30 AEEEHN CC(C)(C=O)N1C[C@H]2CCCCC[C@H]21 687963238 573627121 /nfs/dbraw/zinc/62/71/21/573627121.db2.gz KFMMGGRBGGXEQI-GHMZBOCLSA-N 0 3 195.306 2.228 10 30 AEEEHN N#CC[C@H]1C[C@@H](C2CCCC2)CCN1 259535299 573627169 /nfs/dbraw/zinc/62/71/69/573627169.db2.gz BZPGFOSNTHUUOX-RYUDHWBXSA-N 0 3 192.306 2.458 10 30 AEEEHN CC(C)(C=O)N1C[C@H]2CCCCC[C@@H]21 687963240 573627574 /nfs/dbraw/zinc/62/75/74/573627574.db2.gz KFMMGGRBGGXEQI-MNOVXSKESA-N 0 3 195.306 2.228 10 30 AEEEHN N#CC[C@@H]1C[C@H](C2CCCC2)CCN1 259535300 573629740 /nfs/dbraw/zinc/62/97/40/573629740.db2.gz BZPGFOSNTHUUOX-VXGBXAGGSA-N 0 3 192.306 2.458 10 30 AEEEHN CN(CC1CCC1)CC1(C#N)CC1 258824798 573629999 /nfs/dbraw/zinc/62/99/99/573629999.db2.gz CQXDKOFRKRKFSV-UHFFFAOYSA-N 0 3 178.279 2.022 10 30 AEEEHN C=C[C@H](NC)c1cc(OC)cs1 130726981 573630047 /nfs/dbraw/zinc/63/00/47/573630047.db2.gz SYARBIYEHFLQJJ-QMMMGPOBSA-N 0 3 183.276 2.203 10 30 AEEEHN CC(C)(C=O)N1C[C@@H]2CCCCC[C@H]21 687963243 573630329 /nfs/dbraw/zinc/63/03/29/573630329.db2.gz KFMMGGRBGGXEQI-WDEREUQCSA-N 0 3 195.306 2.228 10 30 AEEEHN C=C[C@H](NCC)c1coc(C)c1 130638202 573631424 /nfs/dbraw/zinc/63/14/24/573631424.db2.gz MHORQDNHGSRXBN-JTQLQIEISA-N 0 3 165.236 2.425 10 30 AEEEHN C=CC[C@@H](C)n1cncc1[C@H](N)CC 130646356 573635906 /nfs/dbraw/zinc/63/59/06/573635906.db2.gz PLXJULLIYGDUHM-NXEZZACHSA-N 0 3 193.294 2.430 10 30 AEEEHN CN[C@@H](C1CCCC1)C1(C#N)CC1 259148222 573636504 /nfs/dbraw/zinc/63/65/04/573636504.db2.gz CIPKCRMIJYOEQW-JTQLQIEISA-N 0 3 178.279 2.068 10 30 AEEEHN C[C@@H](CC#N)NCC1(C2CC2)CCC1 308651969 573637812 /nfs/dbraw/zinc/63/78/12/573637812.db2.gz LDQZFEZVCOWWBA-JTQLQIEISA-N 0 3 192.306 2.458 10 30 AEEEHN C=CC[C@H](C)n1cncc1[C@H](C)N 130644788 573640537 /nfs/dbraw/zinc/64/05/37/573640537.db2.gz ZBLUEGNBVSXRQN-IUCAKERBSA-N 0 3 179.267 2.040 10 30 AEEEHN C[C@H](CC#N)N[C@@H]1CC[C@@H]1C1CCC1 308652701 573640564 /nfs/dbraw/zinc/64/05/64/573640564.db2.gz LUUZHIFDIXYIFM-YUSALJHKSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H](CC#N)NCC1(C2CC2)CCC1 308651970 573640826 /nfs/dbraw/zinc/64/08/26/573640826.db2.gz LDQZFEZVCOWWBA-SNVBAGLBSA-N 0 3 192.306 2.458 10 30 AEEEHN CN(CC1CCC1)CC1(C#N)CCC1 258833334 573647154 /nfs/dbraw/zinc/64/71/54/573647154.db2.gz DKWQEKUERAVJMD-UHFFFAOYSA-N 0 3 192.306 2.412 10 30 AEEEHN C=CCN[C@H](C)c1cccc(CO)c1 308655614 573649290 /nfs/dbraw/zinc/64/92/90/573649290.db2.gz NXZWRFVAFGRPDN-SNVBAGLBSA-N 0 3 191.274 2.016 10 30 AEEEHN C[C@H](CCC#N)NCc1ccccc1 238471319 573657348 /nfs/dbraw/zinc/65/73/48/573657348.db2.gz HJYQQUWYPHKRKU-LLVKDONJSA-N 0 3 188.274 2.468 10 30 AEEEHN N#CC[C@@H]1CCN[C@H](c2ccco2)C1 259544280 573662824 /nfs/dbraw/zinc/66/28/24/573662824.db2.gz CVWZLWQMDBKOJD-ZJUUUORDSA-N 0 3 190.246 2.234 10 30 AEEEHN N#CC[C@H]1CCN[C@@H](c2ccco2)C1 259544277 573662862 /nfs/dbraw/zinc/66/28/62/573662862.db2.gz CVWZLWQMDBKOJD-VHSXEESVSA-N 0 3 190.246 2.234 10 30 AEEEHN C=CCCCN[C@H](C)c1cncnc1 308666681 573663088 /nfs/dbraw/zinc/66/30/88/573663088.db2.gz STUDWKCIODDQPN-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN N#CC[C@@H]1CCN[C@@H](c2ccco2)C1 259544271 573663210 /nfs/dbraw/zinc/66/32/10/573663210.db2.gz CVWZLWQMDBKOJD-NXEZZACHSA-N 0 3 190.246 2.234 10 30 AEEEHN CCC(C)(C)CNCC1(C#N)CC1 258858132 573663256 /nfs/dbraw/zinc/66/32/56/573663256.db2.gz GUDKHRLHRFFSFT-UHFFFAOYSA-N 0 3 180.295 2.316 10 30 AEEEHN CN=CNc1cc(C)ccc1C 144536111 573663330 /nfs/dbraw/zinc/66/33/30/573663330.db2.gz RGLJZGBSPCMIRH-UHFFFAOYSA-N 0 3 162.236 2.373 10 30 AEEEHN C=CCC[C@H](C)N[C@@H](C)c1cc[nH]n1 308665465 573665244 /nfs/dbraw/zinc/66/52/44/573665244.db2.gz SFOCTODXFBLTIK-UWVGGRQHSA-N 0 3 193.294 2.415 10 30 AEEEHN C=CCC[C@@H](C)N[C@H](C)c1cc[nH]n1 308665461 573665492 /nfs/dbraw/zinc/66/54/92/573665492.db2.gz SFOCTODXFBLTIK-NXEZZACHSA-N 0 3 193.294 2.415 10 30 AEEEHN CC(C)CC(C#N)C(=O)[C@H]1C[C@@H]1C 43374847 573675732 /nfs/dbraw/zinc/67/57/32/573675732.db2.gz LGQFUMRSAGLCEW-GUBZILKMSA-N 0 3 179.263 2.397 10 30 AEEEHN CC[C@H](C#N)[C@@H](N)C1CCCCC1 259548303 573676111 /nfs/dbraw/zinc/67/61/11/573676111.db2.gz ULITVDZYBULYIQ-MWLCHTKSSA-N 0 3 180.295 2.444 10 30 AEEEHN CC[C@@H](C#N)[C@H](N)C1CCCCC1 259548305 573678989 /nfs/dbraw/zinc/67/89/89/573678989.db2.gz ULITVDZYBULYIQ-ONGXEEELSA-N 0 3 180.295 2.444 10 30 AEEEHN C#CC[C@@H](C)N[C@@H](C)c1cnoc1C 308672501 573685580 /nfs/dbraw/zinc/68/55/80/573685580.db2.gz VKGYJQBYXDLMJW-BDAKNGLRSA-N 0 3 192.262 2.045 10 30 AEEEHN CCc1ccc([C@@H]([S-])C[NH3+])cc1 259158479 573685869 /nfs/dbraw/zinc/68/58/69/573685869.db2.gz IROQZPVBFTZONA-JTQLQIEISA-N 0 3 181.304 2.179 10 30 AEEEHN C#CCNCC1=CCCCCC1 238001045 573702671 /nfs/dbraw/zinc/70/26/71/573702671.db2.gz LLNKXGFBHOZIFB-UHFFFAOYSA-N 0 3 163.264 2.100 10 30 AEEEHN C[C@H](CC#N)N[C@H]1CC[C@H](C2CC2)C1 308684687 573702907 /nfs/dbraw/zinc/70/29/07/573702907.db2.gz YWBUCTXONCWGMF-USWWRNFRSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H](CC#N)N[C@@H]1CC[C@@H](C2CC2)C1 308684688 573703883 /nfs/dbraw/zinc/70/38/83/573703883.db2.gz YWBUCTXONCWGMF-YUSALJHKSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@H](C#N)[C@@H](NC)C1CCCC1 259171868 573704280 /nfs/dbraw/zinc/70/42/80/573704280.db2.gz JHNFWIZANGJLEP-MWLCHTKSSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H]1CCCCC[C@@H]1NCCC#N 83949054 573710679 /nfs/dbraw/zinc/71/06/79/573710679.db2.gz PCEYMXVYOZLJNO-QWRGUYRKSA-N 0 3 180.295 2.458 10 30 AEEEHN N#CC[C@H](N)CC1CCCCC1 259562552 573719532 /nfs/dbraw/zinc/71/95/32/573719532.db2.gz CMPLXJNDLHCFSC-JTQLQIEISA-N 0 3 166.268 2.198 10 30 AEEEHN N#CC[C@@H](N)CC1CCCCC1 259562554 573719249 /nfs/dbraw/zinc/71/92/49/573719249.db2.gz CMPLXJNDLHCFSC-SNVBAGLBSA-N 0 3 166.268 2.198 10 30 AEEEHN C=C[C@H]1N[C@@H](C)Cc2ccccc21 238485672 573725074 /nfs/dbraw/zinc/72/50/74/573725074.db2.gz HLEARAYVZNEFEZ-JOYOIKCWSA-N 0 3 173.259 2.448 10 30 AEEEHN C[C@H]1CCCCCC(C#N)C1=O 238488164 573728315 /nfs/dbraw/zinc/72/83/15/573728315.db2.gz NXMXOUJCNASUPJ-DTWKUNHWSA-N 0 3 165.236 2.295 10 30 AEEEHN CC[C@H]1CCN([C@@H](C)CC#N)C1 108286232 573730841 /nfs/dbraw/zinc/73/08/41/573730841.db2.gz FVRXXVZWXUGYHQ-UWVGGRQHSA-N 0 3 166.268 2.020 10 30 AEEEHN C=C[C@@H](N)c1cnc(C)cc1Cl 238500170 573742485 /nfs/dbraw/zinc/74/24/85/573742485.db2.gz VCZDYPLKWWREIJ-SECBINFHSA-N 0 3 182.654 2.229 10 30 AEEEHN Cc1cccc(C#N)c1[C@H](N)C1CC1 238500288 573742660 /nfs/dbraw/zinc/74/26/60/573742660.db2.gz TVKLDMOYAFQPHF-GFCCVEGCSA-N 0 3 186.258 2.277 10 30 AEEEHN CC(C)[C@@H](C#N)CNCC1CCC1 258900515 573745812 /nfs/dbraw/zinc/74/58/12/573745812.db2.gz DUULWZGFKLOPKE-NSHDSACASA-N 0 3 180.295 2.172 10 30 AEEEHN C=CCN1CCNc2ccccc2C1 238066873 573747508 /nfs/dbraw/zinc/74/75/08/573747508.db2.gz ZTIWNRGKKPGBLN-UHFFFAOYSA-N 0 3 188.274 2.100 10 30 AEEEHN CC(C)(C)N1C[C@H](C#N)CC1(C)C 259175917 573750075 /nfs/dbraw/zinc/75/00/75/573750075.db2.gz AVIKVMGQTOMSHO-VIFPVBQESA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H](CC#N)N1C[C@H](C)CC[C@@H]1C 84047668 573750128 /nfs/dbraw/zinc/75/01/28/573750128.db2.gz HPMDRMDFSRDWKB-VWYCJHECSA-N 0 3 180.295 2.409 10 30 AEEEHN C=C[C@H](N)c1cc(C)ccc1[N+](=O)[O-] 238505182 573759990 /nfs/dbraw/zinc/75/99/90/573759990.db2.gz ZEFGPHGLYZRSMJ-VIFPVBQESA-N 0 3 192.218 2.089 10 30 AEEEHN C=C[C@@H](N)c1cc(C)ccc1[N+](=O)[O-] 238505386 573760000 /nfs/dbraw/zinc/76/00/00/573760000.db2.gz ZEFGPHGLYZRSMJ-SECBINFHSA-N 0 3 192.218 2.089 10 30 AEEEHN C=C[C@@H](N)c1cc(Cl)cc(C)c1N 238505572 573760443 /nfs/dbraw/zinc/76/04/43/573760443.db2.gz OWKRRFXKVBGTQU-SECBINFHSA-N 0 3 196.681 2.416 10 30 AEEEHN Cc1ccccc1CN(C)CCS 87074490 573760647 /nfs/dbraw/zinc/76/06/47/573760647.db2.gz JQYRUFJWHFILIY-UHFFFAOYSA-N 0 3 195.331 2.357 10 30 AEEEHN Cc1ccccc1[C@H]1C[C@H](C#N)CN1 108339904 573767867 /nfs/dbraw/zinc/76/78/67/573767867.db2.gz DZJWQSRXOUSOME-ZYHUDNBSSA-N 0 3 186.258 2.169 10 30 AEEEHN Cc1ccccc1[C@@H]1C[C@@H](C#N)CN1 108339907 573770425 /nfs/dbraw/zinc/77/04/25/573770425.db2.gz DZJWQSRXOUSOME-JQWIXIFHSA-N 0 3 186.258 2.169 10 30 AEEEHN CC#CCNCc1cccc2cc[nH]c12 127107939 573772586 /nfs/dbraw/zinc/77/25/86/573772586.db2.gz CGLSCNOUKRMMBU-UHFFFAOYSA-N 0 3 198.269 2.281 10 30 AEEEHN CC(C)[C@H]1CCCN1C[C@@H](C)C#N 84126006 573774453 /nfs/dbraw/zinc/77/44/53/573774453.db2.gz HTHWPSKDJPWKBN-WDEREUQCSA-N 0 3 180.295 2.266 10 30 AEEEHN CN[C@@H](C(C)(C)C)C(C)(C)C#N 259570085 573778475 /nfs/dbraw/zinc/77/84/75/573778475.db2.gz WRFDSINKPXFWEC-QMMMGPOBSA-N 0 3 168.284 2.170 10 30 AEEEHN CC(C)CN1CCC[C@@H](C#N)[C@H]1C 259619942 573778766 /nfs/dbraw/zinc/77/87/66/573778766.db2.gz GSBKWWIZMPPXPB-MNOVXSKESA-N 0 3 180.295 2.266 10 30 AEEEHN CN[C@H](C(C)(C)C)C(C)(C)C#N 259570083 573778767 /nfs/dbraw/zinc/77/87/67/573778767.db2.gz WRFDSINKPXFWEC-MRVPVSSYSA-N 0 3 168.284 2.170 10 30 AEEEHN C=C[C@H](N)c1cc(Cl)cc(C)c1N 238503569 573781835 /nfs/dbraw/zinc/78/18/35/573781835.db2.gz OWKRRFXKVBGTQU-VIFPVBQESA-N 0 3 196.681 2.416 10 30 AEEEHN CCN(CCC#N)[C@@H]1CC[C@@H](C)C1 308431631 573781839 /nfs/dbraw/zinc/78/18/39/573781839.db2.gz UFLLCJJAVGFENK-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CCC#N)[C@H]1CC[C@H](C)C1 308431633 573786642 /nfs/dbraw/zinc/78/66/42/573786642.db2.gz UFLLCJJAVGFENK-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)(C)/N=C/c1ccc(CO)cc1 238114893 573786943 /nfs/dbraw/zinc/78/69/43/573786943.db2.gz OLOYSPBWTSLMBU-MDWZMJQESA-N 0 3 191.274 2.396 10 30 AEEEHN CC(C)Cc1ccc(C#CCN)cc1 37471028 573792311 /nfs/dbraw/zinc/79/23/11/573792311.db2.gz NXGWNBLYPJEVAM-UHFFFAOYSA-N 0 3 187.286 2.195 10 30 AEEEHN C=CC[C@H](C)[C@H](N)c1ccco1 715010827 573793380 /nfs/dbraw/zinc/79/33/80/573793380.db2.gz QJPINHTYNWNWCV-WPRPVWTQSA-N 0 3 165.236 2.492 10 30 AEEEHN CC(C)(C)NC(C)(C)C#CCl 238102466 573793427 /nfs/dbraw/zinc/79/34/27/573793427.db2.gz CDVHNKWGLUSIQI-UHFFFAOYSA-N 0 3 173.687 2.353 10 30 AEEEHN C=CC[C@@H](C)[C@H](N)c1ccco1 715010822 573793776 /nfs/dbraw/zinc/79/37/76/573793776.db2.gz QJPINHTYNWNWCV-SCZZXKLOSA-N 0 3 165.236 2.492 10 30 AEEEHN C=CC[C@H](C)[C@@H](N)c1ccco1 715010823 573793909 /nfs/dbraw/zinc/79/39/09/573793909.db2.gz QJPINHTYNWNWCV-WCBMZHEXSA-N 0 3 165.236 2.492 10 30 AEEEHN Cc1cc([C@@H](CN)CC#N)c(Cl)o1 259572006 573798993 /nfs/dbraw/zinc/79/89/93/573798993.db2.gz JJZOJYFSQPKFNX-SSDOTTSWSA-N 0 3 198.653 2.197 10 30 AEEEHN CCC(CC)N1CCC[C@@H](C#N)C1 87157235 573800967 /nfs/dbraw/zinc/80/09/67/573800967.db2.gz UJOVEYNTZGKVKJ-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H](C#N)[C@@H](CC(C)C)NC 259194105 573801200 /nfs/dbraw/zinc/80/12/00/573801200.db2.gz KMTMTTPZURLTFN-VHSXEESVSA-N 0 3 168.284 2.170 10 30 AEEEHN CC[C@H](C#N)[C@H](CC(C)C)NC 259194106 573801250 /nfs/dbraw/zinc/80/12/50/573801250.db2.gz KMTMTTPZURLTFN-ZJUUUORDSA-N 0 3 168.284 2.170 10 30 AEEEHN CN(C)[C@H](C1CCC1)C1(C#N)CCC1 259571388 573803155 /nfs/dbraw/zinc/80/31/55/573803155.db2.gz PGNDMPIAISVHNY-LLVKDONJSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@@H](C#N)CN(C)CC(C)C 258958292 573805797 /nfs/dbraw/zinc/80/57/97/573805797.db2.gz KBNHFLDHROJBKR-JTQLQIEISA-N 0 3 168.284 2.124 10 30 AEEEHN CC[C@H](C#N)[C@@H](CC(C)C)NC 259194102 573806257 /nfs/dbraw/zinc/80/62/57/573806257.db2.gz KMTMTTPZURLTFN-NXEZZACHSA-N 0 3 168.284 2.170 10 30 AEEEHN C[Si](C)(C)C#C[C@H]1CCCCN1 238516454 573806457 /nfs/dbraw/zinc/80/64/57/573806457.db2.gz OXXXLUJVNNEPIA-SNVBAGLBSA-N 0 3 181.355 2.009 10 30 AEEEHN C#CC[C@H](CC)N[C@@H]1CCC[C@H]1C#N 252967254 573809264 /nfs/dbraw/zinc/80/92/64/573809264.db2.gz XXNFUGOMSUBBSU-SDDRHHMPSA-N 0 3 190.290 2.070 10 30 AEEEHN C#CC[C@H](CC)N[C@H]1CCC[C@H]1C#N 252967255 573809704 /nfs/dbraw/zinc/80/97/04/573809704.db2.gz XXNFUGOMSUBBSU-SRVKXCTJSA-N 0 3 190.290 2.070 10 30 AEEEHN CN1CCC(C(C)(C)CS)CC1 259195275 573809824 /nfs/dbraw/zinc/80/98/24/573809824.db2.gz KORWOPQQKKHNHO-UHFFFAOYSA-N 0 3 187.352 2.284 10 30 AEEEHN C#CC[C@@H](C)NCc1ccc(CC)o1 131271106 573809968 /nfs/dbraw/zinc/80/99/68/573809968.db2.gz XWJZLBRCZLAWKN-SNVBAGLBSA-N 0 3 191.274 2.343 10 30 AEEEHN N[C@@H](CS)c1coc2ccccc12 259199478 573811788 /nfs/dbraw/zinc/81/17/88/573811788.db2.gz QCYZROAQMZHHHO-VIFPVBQESA-N 0 3 193.271 2.362 10 30 AEEEHN Cc1ccc(C#N)c(C2(N)CCC2)c1 238528626 573812138 /nfs/dbraw/zinc/81/21/38/573812138.db2.gz YLLAQURXAJAYEX-UHFFFAOYSA-N 0 3 186.258 2.205 10 30 AEEEHN CC(C)C[C@@](N)(CC#N)C(C)C 84331555 573834558 /nfs/dbraw/zinc/83/45/58/573834558.db2.gz DIYBCVYEBSUPQU-JTQLQIEISA-N 0 3 168.284 2.300 10 30 AEEEHN CCCCC#CN(CC)CC 37632200 573834615 /nfs/dbraw/zinc/83/46/15/573834615.db2.gz CCPQRIDOJLAISB-UHFFFAOYSA-N 0 3 153.269 2.479 10 30 AEEEHN C=C(C)CN[C@@H](CC)c1cncn1C 308760227 573840314 /nfs/dbraw/zinc/84/03/14/573840314.db2.gz XPORDUWGSZBYAI-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN CCc1nc(C)c2cccc(CC#N)n12 214981729 573840370 /nfs/dbraw/zinc/84/03/70/573840370.db2.gz ZUWRQTUSNSLZSB-UHFFFAOYSA-N 0 3 199.257 2.271 10 30 AEEEHN CN(C)[C@@H](CS)c1ccccc1 259209762 573845881 /nfs/dbraw/zinc/84/58/81/573845881.db2.gz ADYYDYSYDOUIST-JTQLQIEISA-N 0 3 181.304 2.219 10 30 AEEEHN CN(C)[C@H](CS)c1ccccc1 259209767 573846332 /nfs/dbraw/zinc/84/63/32/573846332.db2.gz ADYYDYSYDOUIST-SNVBAGLBSA-N 0 3 181.304 2.219 10 30 AEEEHN CC(C)N[C@H](C)C#Cc1ccccc1 238152989 573851231 /nfs/dbraw/zinc/85/12/31/573851231.db2.gz YIQGFYZTQLYMFN-GFCCVEGCSA-N 0 3 187.286 2.425 10 30 AEEEHN C=CCN(CC)CCOC(F)(F)F 308453833 573852805 /nfs/dbraw/zinc/85/28/05/573852805.db2.gz FHMAYICPRITLIA-UHFFFAOYSA-N 0 3 197.200 2.031 10 30 AEEEHN CC[C@H](C)N1CC[C@@H](C#N)[C@@H]1C 259210726 573855221 /nfs/dbraw/zinc/85/52/21/573855221.db2.gz JORWSEXYADZSEG-GUBZILKMSA-N 0 3 166.268 2.019 10 30 AEEEHN Cc1ccc(C#N)c(C(C)(C)N)c1 238541747 573855246 /nfs/dbraw/zinc/85/52/46/573855246.db2.gz LBJOYNHSJVWFGR-UHFFFAOYSA-N 0 3 174.247 2.061 10 30 AEEEHN CC(=N)C/C(=N/O)Nc1ccccc1 238166123 573854722 /nfs/dbraw/zinc/85/47/22/573854722.db2.gz HYFXBBZDKBDZMS-UHFFFAOYSA-N 0 3 191.234 2.316 10 30 AEEEHN C=CC[C@@H](N)c1cc(C)ccc1C#N 238542815 573854959 /nfs/dbraw/zinc/85/49/59/573854959.db2.gz OVBNIBRHQBFZIH-GFCCVEGCSA-N 0 3 186.258 2.443 10 30 AEEEHN CC[C@H](C)N1CC[C@H](C#N)[C@H]1C 259210730 573855109 /nfs/dbraw/zinc/85/51/09/573855109.db2.gz JORWSEXYADZSEG-IVZWLZJFSA-N 0 3 166.268 2.019 10 30 AEEEHN CC1(C)CCN([C@@H]2CCC[C@@H]2C#N)C1 87254234 573856391 /nfs/dbraw/zinc/85/63/91/573856391.db2.gz SVHDHVVINXKRDK-GHMZBOCLSA-N 0 3 192.306 2.411 10 30 AEEEHN C=CC[C@H](N)c1cccc(C)c1C#N 238542655 573856438 /nfs/dbraw/zinc/85/64/38/573856438.db2.gz JSVUBJXHKXODMY-LBPRGKRZSA-N 0 3 186.258 2.443 10 30 AEEEHN CC(C)[C@@H](N)c1cc(C#N)cs1 238169015 573860952 /nfs/dbraw/zinc/86/09/52/573860952.db2.gz RTWPQNVIDRTQPB-SECBINFHSA-N 0 3 180.276 2.276 10 30 AEEEHN CCC1CCC(N(C)CC=O)CC1 43803480 573864502 /nfs/dbraw/zinc/86/45/02/573864502.db2.gz XFOGRMXLOGZDNZ-UHFFFAOYSA-N 0 3 183.295 2.086 10 30 AEEEHN N#CC[C@H]1CC[C@H](c2ccccc2)N1 238549852 573871342 /nfs/dbraw/zinc/87/13/42/573871342.db2.gz WSVWQVCVRYPIIY-VXGBXAGGSA-N 0 3 186.258 2.393 10 30 AEEEHN C#CCNC(C)(C)c1ccccc1 238164260 573872708 /nfs/dbraw/zinc/87/27/08/573872708.db2.gz GOKNSQJRAIUWAL-UHFFFAOYSA-N 0 3 173.259 2.145 10 30 AEEEHN CC(C#N)C(=O)C1(C)CCCC1 87316762 573883440 /nfs/dbraw/zinc/88/34/40/573883440.db2.gz KHMKBNHKOGCEJD-MRVPVSSYSA-N 0 3 165.236 2.295 10 30 AEEEHN C=C[C@@H](N)c1ccc([N+](=O)[O-])cc1C 238554402 573885694 /nfs/dbraw/zinc/88/56/94/573885694.db2.gz LBNXVFKVNHNYFQ-SNVBAGLBSA-N 0 3 192.218 2.089 10 30 AEEEHN C=C[C@@H](N)c1c(N)cccc1Cl 238562888 573894936 /nfs/dbraw/zinc/89/49/36/573894936.db2.gz NGBZHGGKRMUOGB-SSDOTTSWSA-N 0 3 182.654 2.108 10 30 AEEEHN N#CC1(CNCC2CCCC2)CCC1 258991509 573896071 /nfs/dbraw/zinc/89/60/71/573896071.db2.gz VPMKIQKWHKQQMJ-UHFFFAOYSA-N 0 3 192.306 2.460 10 30 AEEEHN CC(C)[C@H](N)c1ccc(C#N)s1 238175626 573900247 /nfs/dbraw/zinc/90/02/47/573900247.db2.gz GQORFKKIGNIEME-VIFPVBQESA-N 0 3 180.276 2.276 10 30 AEEEHN CN(C)[C@@H](CCS)c1ccccn1 259225888 573901914 /nfs/dbraw/zinc/90/19/14/573901914.db2.gz ARBBZSZSMUFQKD-JTQLQIEISA-N 0 3 196.319 2.004 10 30 AEEEHN C#CC[C@H](C)NCc1occc1C 127446299 573902393 /nfs/dbraw/zinc/90/23/93/573902393.db2.gz ABPYIHDTTNQDFD-JTQLQIEISA-N 0 3 177.247 2.089 10 30 AEEEHN Cc1ccsc1[C@H](N)CCC#N 259225974 573904885 /nfs/dbraw/zinc/90/48/85/573904885.db2.gz FISPNDXGADOSGW-MRVPVSSYSA-N 0 3 180.276 2.360 10 30 AEEEHN C=CC[C@@H](NCC)c1ncccc1F 131571716 573906347 /nfs/dbraw/zinc/90/63/47/573906347.db2.gz WRJYVBGCCNYGGA-SNVBAGLBSA-N 0 3 194.253 2.447 10 30 AEEEHN O=CC(F)c1ccc(Cl)o1 258451640 573906457 /nfs/dbraw/zinc/90/64/57/573906457.db2.gz FZKINLFPUVUVMU-SCSAIBSYSA-N 0 3 162.547 2.143 10 30 AEEEHN O=CC(F)c1ccc(Cl)o1 258451637 573906633 /nfs/dbraw/zinc/90/66/33/573906633.db2.gz FZKINLFPUVUVMU-BYPYZUCNSA-N 0 3 162.547 2.143 10 30 AEEEHN C=CCCCCNc1cccc(N)n1 308462394 573910923 /nfs/dbraw/zinc/91/09/23/573910923.db2.gz GBKXXSKBPXEFLV-UHFFFAOYSA-N 0 3 191.278 2.432 10 30 AEEEHN CC(C)C(N)=NN(C)c1ccccc1 238183002 573910962 /nfs/dbraw/zinc/91/09/62/573910962.db2.gz NQHKYVCSGUEGLP-UHFFFAOYSA-N 0 3 191.278 2.051 10 30 AEEEHN CC[C@@H](C#N)CNCC1CCCC1 259005394 573919186 /nfs/dbraw/zinc/91/91/86/573919186.db2.gz OGAQOIWFEAXFLL-JTQLQIEISA-N 0 3 180.295 2.316 10 30 AEEEHN CC(C)(C#N)CNCCC1CCC1 259006729 573918754 /nfs/dbraw/zinc/91/87/54/573918754.db2.gz ZSAOURMYLOAUSR-UHFFFAOYSA-N 0 3 180.295 2.316 10 30 AEEEHN CC[C@H](C#N)CNCC1CCCC1 259005397 573920536 /nfs/dbraw/zinc/92/05/36/573920536.db2.gz OGAQOIWFEAXFLL-SNVBAGLBSA-N 0 3 180.295 2.316 10 30 AEEEHN CC(C)N[C@@H](C)C#Cc1ccccc1 238199967 573930614 /nfs/dbraw/zinc/93/06/14/573930614.db2.gz YIQGFYZTQLYMFN-LBPRGKRZSA-N 0 3 187.286 2.425 10 30 AEEEHN CC(C)C[C@H](C)N(C)C(=O)C(C)C#N 44826686 573932048 /nfs/dbraw/zinc/93/20/48/573932048.db2.gz JSEOVBXSKYVPBD-UWVGGRQHSA-N 0 3 196.294 2.039 10 30 AEEEHN C#CCC[C@@H](NC)c1ccc(C)o1 127744038 573933789 /nfs/dbraw/zinc/93/37/89/573933789.db2.gz ZBIUTSMLYYWCQF-SNVBAGLBSA-N 0 3 177.247 2.262 10 30 AEEEHN C#CCC[C@H](NC)c1ccc(C)o1 127744282 573933706 /nfs/dbraw/zinc/93/37/06/573933706.db2.gz ZBIUTSMLYYWCQF-JTQLQIEISA-N 0 3 177.247 2.262 10 30 AEEEHN C#CCC[C@H](NC)c1coc(C)c1 127770394 573938356 /nfs/dbraw/zinc/93/83/56/573938356.db2.gz HPEWEZDSVIWQKX-NSHDSACASA-N 0 3 177.247 2.262 10 30 AEEEHN C#CCC[C@@H](NC)c1coc(C)c1 127770142 573938474 /nfs/dbraw/zinc/93/84/74/573938474.db2.gz HPEWEZDSVIWQKX-LLVKDONJSA-N 0 3 177.247 2.262 10 30 AEEEHN C=CC[C@@H](N)c1sc(C)nc1C 235832698 573938754 /nfs/dbraw/zinc/93/87/54/573938754.db2.gz IFRYTHSEOMHREF-MRVPVSSYSA-N 0 3 182.292 2.336 10 30 AEEEHN C=CC[C@H](N)c1sc(C)nc1C 235831080 573939003 /nfs/dbraw/zinc/93/90/03/573939003.db2.gz IFRYTHSEOMHREF-QMMMGPOBSA-N 0 3 182.292 2.336 10 30 AEEEHN CN1CCC(CC(C)(C)C#N)CC1 259244600 573945185 /nfs/dbraw/zinc/94/51/85/573945185.db2.gz WBDCZGDOFFGQFC-UHFFFAOYSA-N 0 3 180.295 2.268 10 30 AEEEHN C#CCC[C@@H](N)c1sc(C)nc1C 235832727 573944476 /nfs/dbraw/zinc/94/44/76/573944476.db2.gz PZXSATLLSDWZFV-SECBINFHSA-N 0 3 194.303 2.173 10 30 AEEEHN C=C[C@@](C)(C(C)C)[C@H]1NCCS1 238202448 573944820 /nfs/dbraw/zinc/94/48/20/573944820.db2.gz NHTAAQJKGKNUNO-UWVGGRQHSA-N 0 3 185.336 2.497 10 30 AEEEHN C=C[C@@](C)(C(C)C)[C@@H]1NCCS1 238202402 573945617 /nfs/dbraw/zinc/94/56/17/573945617.db2.gz NHTAAQJKGKNUNO-ZJUUUORDSA-N 0 3 185.336 2.497 10 30 AEEEHN CC[C@@H](C)N(CCC#N)C(C)C 42530605 573968117 /nfs/dbraw/zinc/96/81/17/573968117.db2.gz YPMIUAAZSZRYOS-SNVBAGLBSA-N 0 3 168.284 2.409 10 30 AEEEHN CC[C@@H](C)[C@H](C)N[C@@H](C)CC#N 42555569 573969298 /nfs/dbraw/zinc/96/92/98/573969298.db2.gz FKMVOVPWOFCBGP-UTLUCORTSA-N 0 3 168.284 2.313 10 30 AEEEHN CC(C)CN(C1CC1)[C@H](C)CC#N 42557083 573969361 /nfs/dbraw/zinc/96/93/61/573969361.db2.gz BIOYTSVSXJAELY-SNVBAGLBSA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C)CN(C1CC1)[C@@H](C)CC#N 42557080 573969496 /nfs/dbraw/zinc/96/94/96/573969496.db2.gz BIOYTSVSXJAELY-JTQLQIEISA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@@H](C)[C@@H](C)NC[C@@H](C)C#N 42555260 573969622 /nfs/dbraw/zinc/96/96/22/573969622.db2.gz BAAIUWQACIEJLY-IVZWLZJFSA-N 0 3 168.284 2.170 10 30 AEEEHN CC[C@H](C)[C@@H](C)N[C@@H](C)CC#N 42555566 573969662 /nfs/dbraw/zinc/96/96/62/573969662.db2.gz FKMVOVPWOFCBGP-LPEHRKFASA-N 0 3 168.284 2.313 10 30 AEEEHN CC[C@@H](C)[C@H](C)NC[C@@H](C)C#N 42555266 573969923 /nfs/dbraw/zinc/96/99/23/573969923.db2.gz BAAIUWQACIEJLY-AEJSXWLSSA-N 0 3 168.284 2.170 10 30 AEEEHN CC(C)/N=C/c1ccc(O)cc1 110792592 573978738 /nfs/dbraw/zinc/97/87/38/573978738.db2.gz JELJMBCKOPAEOI-YRNVUSSQSA-N 0 3 163.220 2.220 10 30 AEEEHN O=CC(F)c1cccc(F)c1F 223765497 573978222 /nfs/dbraw/zinc/97/82/22/573978222.db2.gz MXNCXMVSQDMCEY-ZETCQYMHSA-N 0 3 174.121 2.174 10 30 AEEEHN C=CC[C@H](CC)NCC(C)(C)C#N 405214508 573980346 /nfs/dbraw/zinc/98/03/46/573980346.db2.gz GIOGSSQQYCRODR-JTQLQIEISA-N 0 3 180.295 2.480 10 30 AEEEHN C#CCC[C@H](N)c1cc(OC)cs1 127948406 573979961 /nfs/dbraw/zinc/97/99/61/573979961.db2.gz KTVFRQIDNMVNHM-VIFPVBQESA-N 0 3 195.287 2.170 10 30 AEEEHN CC(C)N(CC1CC1)C[C@@H](C)C#N 42582873 573983378 /nfs/dbraw/zinc/98/33/78/573983378.db2.gz KVZQKEZOKCCZHT-JTQLQIEISA-N 0 3 180.295 2.266 10 30 AEEEHN CN1CCC(CC2(C#N)CC2)CC1 259032397 573983779 /nfs/dbraw/zinc/98/37/79/573983779.db2.gz DVMFDHHTSHXNKL-UHFFFAOYSA-N 0 3 178.279 2.022 10 30 AEEEHN CC(C)N(CC1CC1)[C@@H](C)CC#N 42582979 573986036 /nfs/dbraw/zinc/98/60/36/573986036.db2.gz KQEJARULXVJOCG-JTQLQIEISA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C)N(CC1CC1)[C@H](C)CC#N 42582982 573986067 /nfs/dbraw/zinc/98/60/67/573986067.db2.gz KQEJARULXVJOCG-SNVBAGLBSA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C)(CF)N[C@@H]1CCC[C@H](C#N)C1 306387749 573987074 /nfs/dbraw/zinc/98/70/74/573987074.db2.gz UGAYZFBOXWOWOB-VHSXEESVSA-N 0 3 198.285 2.406 10 30 AEEEHN CC(C)(CF)N[C@H]1CCC[C@H](C#N)C1 306387742 573989571 /nfs/dbraw/zinc/98/95/71/573989571.db2.gz UGAYZFBOXWOWOB-UWVGGRQHSA-N 0 3 198.285 2.406 10 30 AEEEHN O=CC(F)c1cc(F)ccc1F 104471599 573995071 /nfs/dbraw/zinc/99/50/71/573995071.db2.gz FCGCKSHBCMAVOM-MRVPVSSYSA-N 0 3 174.121 2.174 10 30 AEEEHN CCC[C@@H]([NH3+])c1ccc([O-])cc1C#N 238237250 574002906 /nfs/dbraw/zinc/00/29/06/574002906.db2.gz AVIMHCGOOOPRTC-LLVKDONJSA-N 0 3 190.246 2.064 10 30 AEEEHN C=CC[C@H](N)c1cccc(F)c1C#N 104487038 574003919 /nfs/dbraw/zinc/00/39/19/574003919.db2.gz UEAHSMVLHQTFET-NSHDSACASA-N 0 3 190.221 2.273 10 30 AEEEHN CCCN1C[C@@H](C#N)CC1(C)C 259272250 574011384 /nfs/dbraw/zinc/01/13/84/574011384.db2.gz GCYNOEPBZQQCGR-SECBINFHSA-N 0 3 166.268 2.020 10 30 AEEEHN CCC[C@H]([NH3+])c1ccc([O-])cc1C#N 238247952 574013243 /nfs/dbraw/zinc/01/32/43/574013243.db2.gz AVIMHCGOOOPRTC-NSHDSACASA-N 0 3 190.246 2.064 10 30 AEEEHN CC[C@@H](N[C@H](C)CC#N)C(C)C 42588835 574019828 /nfs/dbraw/zinc/01/98/28/574019828.db2.gz VKOMBFHCKDJCAZ-NXEZZACHSA-N 0 3 168.284 2.313 10 30 AEEEHN C=C[C@@H](N)c1ccc(C)nc1Cl 104511571 574022247 /nfs/dbraw/zinc/02/22/47/574022247.db2.gz CCMUBTJWFPZZMO-MRVPVSSYSA-N 0 3 182.654 2.229 10 30 AEEEHN N#Cc1cc([C@@H]2CCCCN2)cs1 104512999 574022346 /nfs/dbraw/zinc/02/23/46/574022346.db2.gz RETBXNOLTZMRAE-JTQLQIEISA-N 0 3 192.287 2.434 10 30 AEEEHN Cc1ccc([C@@H]([S-])C[NH3+])c(C)c1 259280008 574025205 /nfs/dbraw/zinc/02/52/05/574025205.db2.gz PFPIYZNCHGNASH-JTQLQIEISA-N 0 3 181.304 2.233 10 30 AEEEHN CC(C)(C)N1CC[C@@H](C#N)C1(C)C 259280415 574027909 /nfs/dbraw/zinc/02/79/09/574027909.db2.gz GKOYLBRELCUBOX-VIFPVBQESA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C)(C)N1CC[C@H](C#N)C1(C)C 259280409 574028044 /nfs/dbraw/zinc/02/80/44/574028044.db2.gz GKOYLBRELCUBOX-SECBINFHSA-N 0 3 180.295 2.409 10 30 AEEEHN CC#C[C@](C)(N)Cc1ccc(F)cc1 143706803 574032108 /nfs/dbraw/zinc/03/21/08/574032108.db2.gz QGAMEJSTTBUGQB-LBPRGKRZSA-N 0 3 191.249 2.109 10 30 AEEEHN CN[C@H](CS)c1cccc(F)c1 259294757 574042039 /nfs/dbraw/zinc/04/20/39/574042039.db2.gz WMMNKPGGENEHPV-SECBINFHSA-N 0 3 185.267 2.016 10 30 AEEEHN C=CCN(CC1=NOCC1)C(C)(C)C 1174642651 761353044 /nfs/dbraw/zinc/35/30/44/761353044.db2.gz XACXUCVXDZCHQM-UHFFFAOYSA-N 0 3 196.294 2.049 10 30 AEEEHN C=C1CCN([C@H](C)C#CCC)CC1 1190847886 761598876 /nfs/dbraw/zinc/59/88/76/761598876.db2.gz SFZUETDGHNDLLJ-GFCCVEGCSA-N 0 3 177.291 2.440 10 30 AEEEHN C=C1CCN([C@@H](C)C#CCC)CC1 1190847893 761602214 /nfs/dbraw/zinc/60/22/14/761602214.db2.gz SFZUETDGHNDLLJ-LBPRGKRZSA-N 0 3 177.291 2.440 10 30 AEEEHN C=CCNCc1cc(O)cc(Cl)c1 1199060399 761722167 /nfs/dbraw/zinc/72/21/67/761722167.db2.gz TUKIGRIWRKHURY-UHFFFAOYSA-N 0 3 197.665 2.321 10 30 AEEEHN C=CCNCc1cc2cccnc2o1 1199059660 761724014 /nfs/dbraw/zinc/72/40/14/761724014.db2.gz CLKKNZDLGRMWSF-UHFFFAOYSA-N 0 3 188.230 2.103 10 30 AEEEHN C=CCNCc1cc2cnccc2o1 1199059580 761724831 /nfs/dbraw/zinc/72/48/31/761724831.db2.gz ALUAAGOSXIVQJY-UHFFFAOYSA-N 0 3 188.230 2.103 10 30 AEEEHN CCCCCN1CC(CC#N)C1 1201724935 761806986 /nfs/dbraw/zinc/80/69/86/761806986.db2.gz FVLSLCPRMJDYGG-UHFFFAOYSA-N 0 3 166.268 2.022 10 30 AEEEHN CCCCCCN1CC(CC#N)C1 1201743540 761809840 /nfs/dbraw/zinc/80/98/40/761809840.db2.gz SWTAYGYVUAFLFU-UHFFFAOYSA-N 0 3 180.295 2.412 10 30 AEEEHN C#CCN(C)Cc1ccc2[nH]ccc2c1 1205598355 761969846 /nfs/dbraw/zinc/96/98/46/761969846.db2.gz CJWYNTXDRMNZOM-UHFFFAOYSA-N 0 3 198.269 2.233 10 30 AEEEHN C=CCCCCN1CCCC(=O)CC1 1209200962 762286151 /nfs/dbraw/zinc/28/61/51/762286151.db2.gz QXUMVGVBLYOEQK-UHFFFAOYSA-N 0 3 195.306 2.398 10 30 AEEEHN C=CCCCCN(C)C1(C)COC1 1209204951 762287216 /nfs/dbraw/zinc/28/72/16/762287216.db2.gz MXILHECLZDFWFF-UHFFFAOYSA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCCCCN1CCOC2(CC2)C1 1209208018 762288746 /nfs/dbraw/zinc/28/87/46/762288746.db2.gz JKBZLBSCMCOCPL-UHFFFAOYSA-N 0 3 195.306 2.208 10 30 AEEEHN C=CCCCCN1CC(CC#N)C1 1209201769 762290147 /nfs/dbraw/zinc/29/01/47/762290147.db2.gz RKYSBBFSMHRXEH-UHFFFAOYSA-N 0 3 178.279 2.188 10 30 AEEEHN C=CCCCCCN1C[C@@H]2C[C@H]1CO2 1209427287 762311933 /nfs/dbraw/zinc/31/19/33/762311933.db2.gz MUTJLCAIKSWCOG-RYUDHWBXSA-N 0 3 195.306 2.206 10 30 AEEEHN C#CCN(C)Cc1cccc2ccoc12 1236738515 764664432 /nfs/dbraw/zinc/66/44/32/764664432.db2.gz PNZLETRFNXYMFH-UHFFFAOYSA-N 0 3 199.253 2.498 10 30 AEEEHN C#CCN(C)Cc1cccc2c1CCC2 1249458671 765350209 /nfs/dbraw/zinc/35/02/09/765350209.db2.gz JNXXDFFMOYDBCF-UHFFFAOYSA-N 0 3 199.297 2.240 10 30 AEEEHN C#CCN(C)Cc1c[nH]c2ccccc12 31570970 1169065983 /nfs/dbraw/zinc/06/59/83/1169065983.db2.gz LRXPYCZVVIRGRT-UHFFFAOYSA-N 0 3 198.269 2.233 10 30 AEEEHN CC[C@@H](CC#N)N(C)CC1CC1 37925519 1169079193 /nfs/dbraw/zinc/07/91/93/1169079193.db2.gz YSURBQVVOZULPY-JTQLQIEISA-N 0 3 166.268 2.020 10 30 AEEEHN CC[C@H](CC#N)N(C)CC1CC1 37925520 1169079846 /nfs/dbraw/zinc/07/98/46/1169079846.db2.gz YSURBQVVOZULPY-SNVBAGLBSA-N 0 3 166.268 2.020 10 30 AEEEHN CC[C@H](CC#N)N(C)CC1CCC1 61457823 1169098493 /nfs/dbraw/zinc/09/84/93/1169098493.db2.gz LRRCNEMEIVLHIX-LLVKDONJSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H](CC#N)N(C)CC1CCC1 61457821 1169100811 /nfs/dbraw/zinc/10/08/11/1169100811.db2.gz LRRCNEMEIVLHIX-NSHDSACASA-N 0 3 180.295 2.411 10 30 AEEEHN C=CCNCc1ccc(F)c(OC)c1 83342256 1169113110 /nfs/dbraw/zinc/11/31/10/1169113110.db2.gz GPLNQPSSUNFNDB-UHFFFAOYSA-N 0 3 195.237 2.110 10 30 AEEEHN C=CCNCc1ccc(Cl)nc1 83340750 1169113803 /nfs/dbraw/zinc/11/38/03/1169113803.db2.gz MTEXXEXEUPVLCV-UHFFFAOYSA-N 0 3 182.654 2.011 10 30 AEEEHN N#C[C@H]1CCN(C2CCCCC2)C1 84445206 1169119014 /nfs/dbraw/zinc/11/90/14/1169119014.db2.gz PTCKTBHNJVBPGW-SNVBAGLBSA-N 0 3 178.279 2.165 10 30 AEEEHN N#C[C@@H]1CCN(C2CCCCC2)C1 84445207 1169119088 /nfs/dbraw/zinc/11/90/88/1169119088.db2.gz PTCKTBHNJVBPGW-JTQLQIEISA-N 0 3 178.279 2.165 10 30 AEEEHN N#Cc1ccccc1Nc1ncc[nH]1 84448402 1169120533 /nfs/dbraw/zinc/12/05/33/1169120533.db2.gz JJWGTXLZAONIDN-UHFFFAOYSA-N 0 3 184.202 2.025 10 30 AEEEHN C=CC[C@H](N)c1cc(Cl)ccn1 104669448 1169139559 /nfs/dbraw/zinc/13/95/59/1169139559.db2.gz ARFQYQJCLVCFGZ-QMMMGPOBSA-N 0 3 182.654 2.311 10 30 AEEEHN CC[C@@H]1C[C@H]1CN1CC[C@@](C)(C#N)C1 723123015 673924802 /nfs/dbraw/zinc/92/48/02/673924802.db2.gz IDILAHONQIORSX-WOPDTQHZSA-N 0 3 192.306 2.268 10 30 AEEEHN CC[C@@H]1C[C@H]1CN1CC[C@](C)(C#N)C1 723122817 673925539 /nfs/dbraw/zinc/92/55/39/673925539.db2.gz IDILAHONQIORSX-GRYCIOLGSA-N 0 3 192.306 2.268 10 30 AEEEHN CC(C)[C@@H]1CC[C@@H]1NC[C@H](C)C#N 308143704 673926696 /nfs/dbraw/zinc/92/66/96/673926696.db2.gz KFOFHSBRSNCYGA-VWYCJHECSA-N 0 3 180.295 2.170 10 30 AEEEHN CC(C)[C@H]1CC[C@@H]1NC[C@H](C)C#N 308143700 673927045 /nfs/dbraw/zinc/92/70/45/673927045.db2.gz KFOFHSBRSNCYGA-MXWKQRLJSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@H](C#N)CNCCCC(F)(F)F 124166224 1169168188 /nfs/dbraw/zinc/16/81/88/1169168188.db2.gz CZUCHNMVFSEXNC-SSDOTTSWSA-N 0 3 194.200 2.078 10 30 AEEEHN C[C@@H](C#N)CNCCCC(F)(F)F 124166498 1169168110 /nfs/dbraw/zinc/16/81/10/1169168110.db2.gz CZUCHNMVFSEXNC-ZETCQYMHSA-N 0 3 194.200 2.078 10 30 AEEEHN CSCC[C@@H](C)N[C@@H](C)CC#N 124924101 1169169455 /nfs/dbraw/zinc/16/94/55/1169169455.db2.gz PNOWWXVMFXPMAG-DTWKUNHWSA-N 0 3 186.324 2.020 10 30 AEEEHN CSCC[C@H](C)N[C@@H](C)CC#N 124923885 1169170347 /nfs/dbraw/zinc/17/03/47/1169170347.db2.gz PNOWWXVMFXPMAG-IUCAKERBSA-N 0 3 186.324 2.020 10 30 AEEEHN CC#CCCNCC#Cc1ccccc1 125696369 1169172745 /nfs/dbraw/zinc/17/27/45/1169172745.db2.gz WWXHAHXCQUATET-UHFFFAOYSA-N 0 3 197.281 2.041 10 30 AEEEHN C=CCC[C@H](C)N[C@@H](C)CC#N 134973435 1169189762 /nfs/dbraw/zinc/18/97/62/1169189762.db2.gz XTYLOSZFFOCEPC-UWVGGRQHSA-N 0 3 166.268 2.233 10 30 AEEEHN C[C@@H](CC#N)NCC(C)(C)CCC#N 134971978 1169189970 /nfs/dbraw/zinc/18/99/70/1169189970.db2.gz XUDGJJYSWIEJIC-JTQLQIEISA-N 0 3 193.294 2.208 10 30 AEEEHN C=CCC[C@@H](C)N[C@@H](C)CC#N 134973455 1169190062 /nfs/dbraw/zinc/19/00/62/1169190062.db2.gz XTYLOSZFFOCEPC-ZJUUUORDSA-N 0 3 166.268 2.233 10 30 AEEEHN C[C@H](CC#N)NCC(C)(C)CCC#N 134971996 1169190566 /nfs/dbraw/zinc/19/05/66/1169190566.db2.gz XUDGJJYSWIEJIC-SNVBAGLBSA-N 0 3 193.294 2.208 10 30 AEEEHN CC[C@@H]1CC[C@@H](N[C@@H](C)CC#N)C1 134974640 1169191067 /nfs/dbraw/zinc/19/10/67/1169191067.db2.gz RGXDGXQNZHFIDP-HBNTYKKESA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@@H]1CC[C@H](N[C@@H](C)CC#N)C1 134974595 1169192125 /nfs/dbraw/zinc/19/21/25/1169192125.db2.gz RGXDGXQNZHFIDP-AXFHLTTASA-N 0 3 180.295 2.457 10 30 AEEEHN C#C[C@@H](CC)NCc1cccs1 229511687 673973739 /nfs/dbraw/zinc/97/37/39/673973739.db2.gz DZZYXRNMBXLQBK-VIFPVBQESA-N 0 3 179.288 2.250 10 30 AEEEHN C#C[C@H](CC)NCc1cccs1 229511694 673973763 /nfs/dbraw/zinc/97/37/63/673973763.db2.gz DZZYXRNMBXLQBK-SECBINFHSA-N 0 3 179.288 2.250 10 30 AEEEHN C#CCN(C)Cc1cccc2[nH]ccc12 139342140 1169197821 /nfs/dbraw/zinc/19/78/21/1169197821.db2.gz DXLXNMKZIUJRGF-UHFFFAOYSA-N 0 3 198.269 2.233 10 30 AEEEHN C=C(Cl)CN[C@@H]1CC[C@@H]1SC 702422476 673979605 /nfs/dbraw/zinc/97/96/05/673979605.db2.gz DFYLWSDTEXSDDQ-SFYZADRCSA-N 0 3 191.727 2.223 10 30 AEEEHN C[C@@H](CF)N[C@@H](C)CC(C)(C)C#N 702572315 673979616 /nfs/dbraw/zinc/97/96/16/673979616.db2.gz ULXISRKYNNOWTN-IUCAKERBSA-N 0 3 186.274 2.262 10 30 AEEEHN C=C(Cl)CN[C@H]1CC[C@@H]1SC 702422478 673980079 /nfs/dbraw/zinc/98/00/79/673980079.db2.gz DFYLWSDTEXSDDQ-YUMQZZPRSA-N 0 3 191.727 2.223 10 30 AEEEHN C[C@@H](CF)N[C@H](C)CC(C)(C)C#N 702572313 673980174 /nfs/dbraw/zinc/98/01/74/673980174.db2.gz ULXISRKYNNOWTN-BDAKNGLRSA-N 0 3 186.274 2.262 10 30 AEEEHN C=C(Cl)CN[C@@H]1CC[C@H]1SC 702422472 673980530 /nfs/dbraw/zinc/98/05/30/673980530.db2.gz DFYLWSDTEXSDDQ-HTQZYQBOSA-N 0 3 191.727 2.223 10 30 AEEEHN C=C(Cl)CN[C@H]1CC[C@H]1SC 702422474 673980570 /nfs/dbraw/zinc/98/05/70/673980570.db2.gz DFYLWSDTEXSDDQ-JGVFFNPUSA-N 0 3 191.727 2.223 10 30 AEEEHN CCC(CC)N1CC[C@H](C#N)C1 142443797 1169206898 /nfs/dbraw/zinc/20/68/98/1169206898.db2.gz HPMXPCJKJREZNW-SECBINFHSA-N 0 3 166.268 2.020 10 30 AEEEHN CCC(CC)N1CC[C@@H](C#N)C1 142444023 1169207684 /nfs/dbraw/zinc/20/76/84/1169207684.db2.gz HPMXPCJKJREZNW-VIFPVBQESA-N 0 3 166.268 2.020 10 30 AEEEHN N#Cc1cccc(CN2CC[C@H]3C[C@H]32)c1 706968904 673989085 /nfs/dbraw/zinc/98/90/85/673989085.db2.gz TYQCLFREVXSCOU-QWHCGFSZSA-N 0 3 198.269 2.152 10 30 AEEEHN N#Cc1cccc(CN2CC[C@@H]3C[C@@H]32)c1 706968902 673989663 /nfs/dbraw/zinc/98/96/63/673989663.db2.gz TYQCLFREVXSCOU-OLZOCXBDSA-N 0 3 198.269 2.152 10 30 AEEEHN C[C@H](NCCC#N)[C@]12CCCC[C@H]1C2 709231965 673993454 /nfs/dbraw/zinc/99/34/54/673993454.db2.gz KRWWGLZRINUNMQ-SDDRHHMPSA-N 0 3 192.306 2.458 10 30 AEEEHN C[C@H](NCCC#N)[C@@]12CCCC[C@@H]1C2 709231967 673993477 /nfs/dbraw/zinc/99/34/77/673993477.db2.gz KRWWGLZRINUNMQ-TUAOUCFPSA-N 0 3 192.306 2.458 10 30 AEEEHN N#CCCNCC1CCC2(CC1)CC2 709978979 673994632 /nfs/dbraw/zinc/99/46/32/673994632.db2.gz OCOOCLQKMAJBQN-UHFFFAOYSA-N 0 3 192.306 2.460 10 30 AEEEHN N#CCCN[C@H]1C[C@H]2CC[C@H](C2)C1 710989004 673998339 /nfs/dbraw/zinc/99/83/39/673998339.db2.gz VXJADGCXKQQSAI-JGPRNRPPSA-N 0 3 178.279 2.068 10 30 AEEEHN N#CCCN[C@@H]1C[C@H]2CC[C@H](C2)C1 710989005 673998634 /nfs/dbraw/zinc/99/86/34/673998634.db2.gz VXJADGCXKQQSAI-URLYPYJESA-N 0 3 178.279 2.068 10 30 AEEEHN C=C/C=C\CCN[C@@H](C)CC#N 713506711 674005616 /nfs/dbraw/zinc/00/56/16/674005616.db2.gz FTUXXPVTHLYSSW-LWTINBJPSA-N 0 3 164.252 2.010 10 30 AEEEHN C#C[C@H](C)N(C)Cc1ccc(C)cc1 769960966 674008543 /nfs/dbraw/zinc/00/85/43/674008543.db2.gz HSKQJWNGLVVPHY-LBPRGKRZSA-N 0 3 187.286 2.449 10 30 AEEEHN C[C@@H](CC#N)NCC[C@@H]1C[C@H]1C1CC1 712686276 674012464 /nfs/dbraw/zinc/01/24/64/674012464.db2.gz OOGHWEVZCZVQPW-WCQGTBRESA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](CC#N)NCC[C@@H]1C[C@H]1C1CC1 712652040 674012004 /nfs/dbraw/zinc/01/20/04/674012004.db2.gz OOGHWEVZCZVQPW-JLLWLGSASA-N 0 3 192.306 2.314 10 30 AEEEHN C=C/C=C/CCN[C@@H](C)CC#N 713506714 674013964 /nfs/dbraw/zinc/01/39/64/674013964.db2.gz FTUXXPVTHLYSSW-YEZKRMTDSA-N 0 3 164.252 2.010 10 30 AEEEHN C=C/C=C/CCN[C@@H]1CCC[C@H]1C#N 713500843 674014020 /nfs/dbraw/zinc/01/40/20/674014020.db2.gz ADQHWMFFWHDFND-HEKLCECKSA-N 0 3 190.290 2.401 10 30 AEEEHN C=C/C=C\CCN[C@@H]1CCC[C@@H]1C#N 713500847 674014022 /nfs/dbraw/zinc/01/40/22/674014022.db2.gz ADQHWMFFWHDFND-OPVGQWETSA-N 0 3 190.290 2.401 10 30 AEEEHN C=C/C=C\CCN[C@H](C)CC#N 713506713 674014174 /nfs/dbraw/zinc/01/41/74/674014174.db2.gz FTUXXPVTHLYSSW-UMCURTJPSA-N 0 3 164.252 2.010 10 30 AEEEHN C=C/C=C\CCN[C@@H]1CCC[C@H]1C#N 713500851 674014300 /nfs/dbraw/zinc/01/43/00/674014300.db2.gz ADQHWMFFWHDFND-RRNNCXACSA-N 0 3 190.290 2.401 10 30 AEEEHN C=C/C=C/CCN[C@@H]1CCC[C@@H]1C#N 713500840 674014304 /nfs/dbraw/zinc/01/43/04/674014304.db2.gz ADQHWMFFWHDFND-BLDJZWNYSA-N 0 3 190.290 2.401 10 30 AEEEHN C=C/C=C/CCN[C@H](C)CC#N 713506712 674014326 /nfs/dbraw/zinc/01/43/26/674014326.db2.gz FTUXXPVTHLYSSW-ORAHPGNNSA-N 0 3 164.252 2.010 10 30 AEEEHN CC[C@H](CC#N)N1CCC[C@@H](C)C1 146709384 1169233070 /nfs/dbraw/zinc/23/30/70/1169233070.db2.gz PNDDLPDANRCMKH-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H](CC#N)N1CCC[C@@H](C)C1 146709215 1169234933 /nfs/dbraw/zinc/23/49/33/1169234933.db2.gz PNDDLPDANRCMKH-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN C=CC[C@@H](C)N1CC[C@](C)(C#N)C1 715789788 674023057 /nfs/dbraw/zinc/02/30/57/674023057.db2.gz XAVSOKIQSOGCBV-GHMZBOCLSA-N 0 3 178.279 2.187 10 30 AEEEHN C(#Cc1ccccc1)CN[C@H]1CC12CC2 715345641 674022472 /nfs/dbraw/zinc/02/24/72/674022472.db2.gz VHFPRZJJZRETQV-ZDUSSCGKSA-N 0 3 197.281 2.180 10 30 AEEEHN C(#Cc1ccccc1)CN[C@@H]1CC12CC2 715345638 674022492 /nfs/dbraw/zinc/02/24/92/674022492.db2.gz VHFPRZJJZRETQV-CYBMUJFWSA-N 0 3 197.281 2.180 10 30 AEEEHN C=CC[C@H](C)N(CC)C[C@H](C)C#N 715788603 674022796 /nfs/dbraw/zinc/02/27/96/674022796.db2.gz RDOXVGAAFZOYMO-MNOVXSKESA-N 0 3 180.295 2.433 10 30 AEEEHN C=CC[C@@H](C)N(CC)C[C@@H](C)C#N 715788609 674022841 /nfs/dbraw/zinc/02/28/41/674022841.db2.gz RDOXVGAAFZOYMO-WDEREUQCSA-N 0 3 180.295 2.433 10 30 AEEEHN C=CC[C@H](C)N1CC[C@@](C)(C#N)C1 715789790 674022850 /nfs/dbraw/zinc/02/28/50/674022850.db2.gz XAVSOKIQSOGCBV-QWRGUYRKSA-N 0 3 178.279 2.187 10 30 AEEEHN C=CC[C@@H](C)N(CC)C[C@H](C)C#N 715788601 674022907 /nfs/dbraw/zinc/02/29/07/674022907.db2.gz RDOXVGAAFZOYMO-GHMZBOCLSA-N 0 3 180.295 2.433 10 30 AEEEHN C=CC[C@H](C)N(CC)C[C@@H](C)C#N 715788606 674022986 /nfs/dbraw/zinc/02/29/86/674022986.db2.gz RDOXVGAAFZOYMO-QWRGUYRKSA-N 0 3 180.295 2.433 10 30 AEEEHN C=CC[C@@H](C)N1CC[C@@](C)(C#N)C1 715789789 674023045 /nfs/dbraw/zinc/02/30/45/674023045.db2.gz XAVSOKIQSOGCBV-MNOVXSKESA-N 0 3 178.279 2.187 10 30 AEEEHN C=CC[C@H](C)N1C[C@@H](C)C(=O)[C@H](C)C1 715749538 674023158 /nfs/dbraw/zinc/02/31/58/674023158.db2.gz OEUOQNPRWSMFHM-MXWKQRLJSA-N 0 3 195.306 2.108 10 30 AEEEHN C=CC[C@H](C)N1CC[C@](C)(C#N)C1 715789791 674023161 /nfs/dbraw/zinc/02/31/61/674023161.db2.gz XAVSOKIQSOGCBV-WDEREUQCSA-N 0 3 178.279 2.187 10 30 AEEEHN C=C[C@H](C)N[C@@H](C)c1ccns1 716029029 674023819 /nfs/dbraw/zinc/02/38/19/674023819.db2.gz GRLALRHTUGYKDY-YUMQZZPRSA-N 0 3 182.292 2.368 10 30 AEEEHN C=C[C@@H](C)N[C@H](C)c1ccns1 716029024 674024133 /nfs/dbraw/zinc/02/41/33/674024133.db2.gz GRLALRHTUGYKDY-HTQZYQBOSA-N 0 3 182.292 2.368 10 30 AEEEHN C=C(C)CN[C@H](C)c1ccns1 716027789 674024168 /nfs/dbraw/zinc/02/41/68/674024168.db2.gz ADVQENDYZMSRSS-MRVPVSSYSA-N 0 3 182.292 2.370 10 30 AEEEHN C=C(C)CN[C@@H](C)c1ccns1 716027792 674024177 /nfs/dbraw/zinc/02/41/77/674024177.db2.gz ADVQENDYZMSRSS-QMMMGPOBSA-N 0 3 182.292 2.370 10 30 AEEEHN C=C[C@@H](C)N[C@@H](C)c1ccns1 716029028 674024274 /nfs/dbraw/zinc/02/42/74/674024274.db2.gz GRLALRHTUGYKDY-SFYZADRCSA-N 0 3 182.292 2.368 10 30 AEEEHN N#CCCNCCCCC1CC1 716346897 674024395 /nfs/dbraw/zinc/02/43/95/674024395.db2.gz MBGQOFFEPUUWSU-UHFFFAOYSA-N 0 3 166.268 2.070 10 30 AEEEHN C=C[C@H](C)N[C@H](C)c1ccns1 716029025 674024438 /nfs/dbraw/zinc/02/44/38/674024438.db2.gz GRLALRHTUGYKDY-JGVFFNPUSA-N 0 3 182.292 2.368 10 30 AEEEHN CC#CCCN[C@H](C)c1ccccn1 159300969 1169261699 /nfs/dbraw/zinc/26/16/99/1169261699.db2.gz ZTPWKRFGFKRKDY-LLVKDONJSA-N 0 3 188.274 2.146 10 30 AEEEHN C=C[C@@H](C)NCc1cccnc1C 165866418 1169273106 /nfs/dbraw/zinc/27/31/06/1169273106.db2.gz QZVBZGRUFDFEHE-SECBINFHSA-N 0 3 176.263 2.054 10 30 AEEEHN C=C[C@H](C)NCc1ccc(Cl)nc1 165868557 1169273566 /nfs/dbraw/zinc/27/35/66/1169273566.db2.gz BTZHRXHHPWIXCB-QMMMGPOBSA-N 0 3 196.681 2.399 10 30 AEEEHN C=C[C@@H](C)NCc1ccc(Cl)nc1 165868682 1169274018 /nfs/dbraw/zinc/27/40/18/1169274018.db2.gz BTZHRXHHPWIXCB-MRVPVSSYSA-N 0 3 196.681 2.399 10 30 AEEEHN C=CC[C@@H]1CCN1Cc1cccnc1 934468742 674056277 /nfs/dbraw/zinc/05/62/77/674056277.db2.gz IISLMWDAJFZPQQ-GFCCVEGCSA-N 0 3 188.274 2.232 10 30 AEEEHN C=C(C)CN1CCOC[C@@]1(C)C1CC1 934475796 674056332 /nfs/dbraw/zinc/05/63/32/674056332.db2.gz PXXRQLDFICICIB-LBPRGKRZSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CN1CCOC[C@]1(C)C1CC1 934475795 674056442 /nfs/dbraw/zinc/05/64/42/674056442.db2.gz PXXRQLDFICICIB-GFCCVEGCSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CC[C@H]1CCN1Cc1cccnc1 934468743 674056597 /nfs/dbraw/zinc/05/65/97/674056597.db2.gz IISLMWDAJFZPQQ-LBPRGKRZSA-N 0 3 188.274 2.232 10 30 AEEEHN C=C[C@H](C)NCc1cccnc1C 165866295 1169276291 /nfs/dbraw/zinc/27/62/91/1169276291.db2.gz QZVBZGRUFDFEHE-VIFPVBQESA-N 0 3 176.263 2.054 10 30 AEEEHN C=C(C)CNCc1cc(C)co1 718070460 674057617 /nfs/dbraw/zinc/05/76/17/674057617.db2.gz MKAAXBHLEFSNFT-UHFFFAOYSA-N 0 3 165.236 2.254 10 30 AEEEHN C#CCN[C@@H](C)c1ccc(C)c(F)c1 87284183 674058928 /nfs/dbraw/zinc/05/89/28/674058928.db2.gz IOTFVIGHPOVYRP-JTQLQIEISA-N 0 3 191.249 2.418 10 30 AEEEHN C#CCN[C@H](C)c1ccc(C)c(F)c1 87284182 674058944 /nfs/dbraw/zinc/05/89/44/674058944.db2.gz IOTFVIGHPOVYRP-SNVBAGLBSA-N 0 3 191.249 2.418 10 30 AEEEHN C=C[C@H](C)NCc1sccc1OC 166732410 1169278235 /nfs/dbraw/zinc/27/82/35/1169278235.db2.gz YEMHBBFXQPLWPV-QMMMGPOBSA-N 0 3 197.303 2.421 10 30 AEEEHN C=C[C@@H](C)NCc1sccc1OC 166732503 1169279476 /nfs/dbraw/zinc/27/94/76/1169279476.db2.gz YEMHBBFXQPLWPV-MRVPVSSYSA-N 0 3 197.303 2.421 10 30 AEEEHN C#CCN[C@@H](C)c1ccc(F)c(C)c1 306374670 674073127 /nfs/dbraw/zinc/07/31/27/674073127.db2.gz KWIQALHEKAHVBY-JTQLQIEISA-N 0 3 191.249 2.418 10 30 AEEEHN C=CCc1cccc(C[NH+](C)C)c1[O-] 196044160 1169294856 /nfs/dbraw/zinc/29/48/56/1169294856.db2.gz KTSQGABGEKVCDF-UHFFFAOYSA-N 0 3 191.274 2.182 10 30 AEEEHN C=CCNCc1cc(C)ccc1F 220935452 1169351468 /nfs/dbraw/zinc/35/14/68/1169351468.db2.gz TYOLONFSBSJWEK-UHFFFAOYSA-N 0 3 179.238 2.410 10 30 AEEEHN CC1CCC(N2CC[C@@H](C#N)C2)CC1 225250245 1169368654 /nfs/dbraw/zinc/36/86/54/1169368654.db2.gz MNPPSCNPWNNLIS-CXQJBGSLSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@@H]1CCN([C@H](CC)CC#N)C1 228712739 1169380777 /nfs/dbraw/zinc/38/07/77/1169380777.db2.gz OEPKJUGTRWGTQF-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CC1(NCC#Cc2ccccc2)CC1 228841945 1169382119 /nfs/dbraw/zinc/38/21/19/1169382119.db2.gz KXIYUGQQLBFZCY-UHFFFAOYSA-N 0 3 185.270 2.180 10 30 AEEEHN CC[C@@H](CC#N)NC1(C)CCC1 228850817 1169384533 /nfs/dbraw/zinc/38/45/33/1169384533.db2.gz LDJCXFGXKBSBQI-VIFPVBQESA-N 0 3 166.268 2.211 10 30 AEEEHN CC[C@H](CC#N)NC1(C)CCC1 228850827 1169384617 /nfs/dbraw/zinc/38/46/17/1169384617.db2.gz LDJCXFGXKBSBQI-SECBINFHSA-N 0 3 166.268 2.211 10 30 AEEEHN C#C[C@H](C)NCc1ccccc1CC 229535241 1169386257 /nfs/dbraw/zinc/38/62/57/1169386257.db2.gz ZZFQDPRLDCJPJD-NSHDSACASA-N 0 3 187.286 2.360 10 30 AEEEHN C#C[C@@H](C)NCc1ccccc1CC 229535249 1169386667 /nfs/dbraw/zinc/38/66/67/1169386667.db2.gz ZZFQDPRLDCJPJD-LLVKDONJSA-N 0 3 187.286 2.360 10 30 AEEEHN C#C[C@@H](C)NCc1ccc2cc[nH]c2c1 229673012 1169391048 /nfs/dbraw/zinc/39/10/48/1169391048.db2.gz BMHRKLIMCNOIBI-SNVBAGLBSA-N 0 3 198.269 2.279 10 30 AEEEHN C#C[C@H](C)NCc1ccc2[nH]ccc2c1 229673040 1169391354 /nfs/dbraw/zinc/39/13/54/1169391354.db2.gz JVBNAGXRQSHPJA-JTQLQIEISA-N 0 3 198.269 2.279 10 30 AEEEHN C#C[C@@H](C)NCc1ccc2[nH]ccc2c1 229673029 1169391561 /nfs/dbraw/zinc/39/15/61/1169391561.db2.gz JVBNAGXRQSHPJA-SNVBAGLBSA-N 0 3 198.269 2.279 10 30 AEEEHN C#C[C@H](C)NCc1ccc2cc[nH]c2c1 229673018 1169392716 /nfs/dbraw/zinc/39/27/16/1169392716.db2.gz BMHRKLIMCNOIBI-JTQLQIEISA-N 0 3 198.269 2.279 10 30 AEEEHN C=CCN(C)Cc1ccccc1NC 238341734 1169420523 /nfs/dbraw/zinc/42/05/23/1169420523.db2.gz HXUQIOPEMKSHKD-UHFFFAOYSA-N 0 3 190.290 2.346 10 30 AEEEHN CC[C@H](CC#N)N1CCC[C@H]1C 252418330 1169432874 /nfs/dbraw/zinc/43/28/74/1169432874.db2.gz VIFRBPFSMJSQLA-NXEZZACHSA-N 0 3 166.268 2.163 10 30 AEEEHN CC[C@@H](CC#N)N1CCC[C@H]1C 252418332 1169432914 /nfs/dbraw/zinc/43/29/14/1169432914.db2.gz VIFRBPFSMJSQLA-ZJUUUORDSA-N 0 3 166.268 2.163 10 30 AEEEHN CN(C)Cc1cc2ccc(C#N)cc2[nH]1 260432753 1169448418 /nfs/dbraw/zinc/44/84/18/1169448418.db2.gz PZQVPPFZIAYEGZ-UHFFFAOYSA-N 0 3 199.257 2.101 10 30 AEEEHN CN(C)Cc1ccc(C#N)c(Cl)c1 260811922 1169451218 /nfs/dbraw/zinc/45/12/18/1169451218.db2.gz NFJXGFNFKGKZFJ-UHFFFAOYSA-N 0 3 194.665 2.273 10 30 AEEEHN CN1CC=C(c2ccc(C#N)cc2)CC1 260823968 1169451321 /nfs/dbraw/zinc/45/13/21/1169451321.db2.gz YVZGUZMNLMHYPW-UHFFFAOYSA-N 0 3 198.269 2.277 10 30 AEEEHN CC1(C)CN([C@H]2CC[C@H](C#N)C2)C1 261003182 1169451492 /nfs/dbraw/zinc/45/14/92/1169451492.db2.gz WKUCPOXROWAONG-UWVGGRQHSA-N 0 3 178.279 2.020 10 30 AEEEHN CN1CC=C(c2ccccc2C#N)CC1 260707557 1169451510 /nfs/dbraw/zinc/45/15/10/1169451510.db2.gz LTWPWZSTNQRJLH-UHFFFAOYSA-N 0 3 198.269 2.277 10 30 AEEEHN CC1(C)CN([C@@H]2CC[C@H](C#N)C2)C1 261003183 1169451523 /nfs/dbraw/zinc/45/15/23/1169451523.db2.gz WKUCPOXROWAONG-VHSXEESVSA-N 0 3 178.279 2.020 10 30 AEEEHN CN(C)Cc1ccc(Cl)c(C#N)c1 260878866 1169451555 /nfs/dbraw/zinc/45/15/55/1169451555.db2.gz ZGPNZJPWEMYTBY-UHFFFAOYSA-N 0 3 194.665 2.273 10 30 AEEEHN CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)C1 261003181 1169451678 /nfs/dbraw/zinc/45/16/78/1169451678.db2.gz WKUCPOXROWAONG-NXEZZACHSA-N 0 3 178.279 2.020 10 30 AEEEHN CN1CC=C(c2cccc(C#N)c2)CC1 260715961 1169452282 /nfs/dbraw/zinc/45/22/82/1169452282.db2.gz MNQRQEOMWZOWEN-UHFFFAOYSA-N 0 3 198.269 2.277 10 30 AEEEHN CC1(C)CN([C@H]2CC[C@@H](C#N)C2)C1 261003184 1169452904 /nfs/dbraw/zinc/45/29/04/1169452904.db2.gz WKUCPOXROWAONG-ZJUUUORDSA-N 0 3 178.279 2.020 10 30 AEEEHN CC[C@H](CC#N)N1CCC2(CC2)C1 307381736 1169516851 /nfs/dbraw/zinc/51/68/51/1169516851.db2.gz ALTPCNDPZBVSHX-SNVBAGLBSA-N 0 3 178.279 2.165 10 30 AEEEHN CC[C@@H](CC#N)N1CCC2(CC2)C1 307381735 1169517066 /nfs/dbraw/zinc/51/70/66/1169517066.db2.gz ALTPCNDPZBVSHX-JTQLQIEISA-N 0 3 178.279 2.165 10 30 AEEEHN CC[C@H](CC#N)N1C2CCC1CC2 307722284 1169539221 /nfs/dbraw/zinc/53/92/21/1169539221.db2.gz YEYFXHMTMNRMKY-KPPDAEKUSA-N 0 3 178.279 2.305 10 30 AEEEHN CC[C@@H](CC#N)N1C2CCC1CC2 307722285 1169540184 /nfs/dbraw/zinc/54/01/84/1169540184.db2.gz YEYFXHMTMNRMKY-WHXUTIOJSA-N 0 3 178.279 2.305 10 30 AEEEHN CC#CCCNCc1ccoc1C 321190931 1169555527 /nfs/dbraw/zinc/55/55/27/1169555527.db2.gz FZWSOZIBEZZMMS-UHFFFAOYSA-N 0 3 177.247 2.091 10 30 AEEEHN CC[C@H](CC#N)N(C)CCC1CC1 379379371 1169579071 /nfs/dbraw/zinc/57/90/71/1169579071.db2.gz BUTKOWUVDGCYJL-LLVKDONJSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H](CC#N)N(C)CCC1CC1 379379373 1169579360 /nfs/dbraw/zinc/57/93/60/1169579360.db2.gz BUTKOWUVDGCYJL-NSHDSACASA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@H](CC#N)N(C)C(C)(C)C 381985181 1169597069 /nfs/dbraw/zinc/59/70/69/1169597069.db2.gz JPTFMGMWDFNAGJ-SECBINFHSA-N 0 3 168.284 2.409 10 30 AEEEHN CC[C@@H](CC#N)N(C)C(C)(C)C 381985182 1169598086 /nfs/dbraw/zinc/59/80/86/1169598086.db2.gz JPTFMGMWDFNAGJ-VIFPVBQESA-N 0 3 168.284 2.409 10 30 AEEEHN C=CC[C@H](C=C)Oc1ccnc(N)c1 706038338 1169710915 /nfs/dbraw/zinc/71/09/15/1169710915.db2.gz GGQUWQHWYNDKCF-VIFPVBQESA-N 0 3 190.246 2.173 10 30 AEEEHN C=CC[C@@H](C=C)Oc1ccnc(N)c1 706038335 1169712734 /nfs/dbraw/zinc/71/27/34/1169712734.db2.gz GGQUWQHWYNDKCF-SECBINFHSA-N 0 3 190.246 2.173 10 30 AEEEHN C#C[C@H](C)Nc1cc(C)cc(C)n1 708017780 1169719434 /nfs/dbraw/zinc/71/94/34/1169719434.db2.gz NOFHZEXPEKBXOK-VIFPVBQESA-N 0 3 174.247 2.132 10 30 AEEEHN CC(C)(C)CN1CC[C@](C)(C#N)C1 713329644 1169734551 /nfs/dbraw/zinc/73/45/51/1169734551.db2.gz PLUHILIPPAPWOQ-LLVKDONJSA-N 0 3 180.295 2.268 10 30 AEEEHN CC(C)(C)CN1CC[C@@](C)(C#N)C1 713329652 1169735343 /nfs/dbraw/zinc/73/53/43/1169735343.db2.gz PLUHILIPPAPWOQ-NSHDSACASA-N 0 3 180.295 2.268 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1C[C@H]1C1CC1 716538863 1169743212 /nfs/dbraw/zinc/74/32/12/1169743212.db2.gz DCIAAAMXTJHSRU-OUAUKWLOSA-N 0 3 178.279 2.067 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1C[C@@H]1C1CC1 716538861 1169743316 /nfs/dbraw/zinc/74/33/16/1169743316.db2.gz DCIAAAMXTJHSRU-GMTAPVOTSA-N 0 3 178.279 2.067 10 30 AEEEHN CC[C@H](CC#N)N[C@H]1C[C@H]1C1CC1 716538864 1169743436 /nfs/dbraw/zinc/74/34/36/1169743436.db2.gz DCIAAAMXTJHSRU-VWYCJHECSA-N 0 3 178.279 2.067 10 30 AEEEHN CC[C@H](CC#N)N[C@H]1C[C@@H]1C1CC1 716538862 1169743487 /nfs/dbraw/zinc/74/34/87/1169743487.db2.gz DCIAAAMXTJHSRU-MXWKQRLJSA-N 0 3 178.279 2.067 10 30 AEEEHN N#CC1(CNC2(C3CC3)CCC2)CC1 717822081 1169747676 /nfs/dbraw/zinc/74/76/76/1169747676.db2.gz HLARSUWETXJFNW-UHFFFAOYSA-N 0 3 190.290 2.212 10 30 AEEEHN CC[C@H](CC#N)NC(C)(C)C 1255149725 1169905320 /nfs/dbraw/zinc/90/53/20/1169905320.db2.gz MRVIZXKATWUDGN-MRVPVSSYSA-N 0 3 154.257 2.067 10 30 AEEEHN CC[C@@H](CC#N)NC(C)(C)C 1255149729 1169906164 /nfs/dbraw/zinc/90/61/64/1169906164.db2.gz MRVIZXKATWUDGN-QMMMGPOBSA-N 0 3 154.257 2.067 10 30 AEEEHN CCC[C@H](CC)N(C)CCC#N 1257256210 1169981298 /nfs/dbraw/zinc/98/12/98/1169981298.db2.gz FHIXMMLNLGLLTQ-JTQLQIEISA-N 0 3 168.284 2.411 10 30 AEEEHN CCC[C@@H](CC)N(C)CCC#N 1257256211 1169982388 /nfs/dbraw/zinc/98/23/88/1169982388.db2.gz FHIXMMLNLGLLTQ-SNVBAGLBSA-N 0 3 168.284 2.411 10 30 AEEEHN CCN(CCC#N)[C@@H](C)CC1CC1 1258461814 1170073654 /nfs/dbraw/zinc/07/36/54/1170073654.db2.gz FWKHHAATKFJWCO-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CCC#N)[C@H](C)CC1CC1 1258461817 1170073998 /nfs/dbraw/zinc/07/39/98/1170073998.db2.gz FWKHHAATKFJWCO-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@H](CC1CC1)N1CCC[C@H](C#N)C1 1258468170 1170076381 /nfs/dbraw/zinc/07/63/81/1170076381.db2.gz UGVYUODDNQGUPF-ZYHUDNBSSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@H](CC1CC1)N1CC[C@H](C#N)C1 1258468446 1170076507 /nfs/dbraw/zinc/07/65/07/1170076507.db2.gz XUVVCQVDPIUNAT-MWLCHTKSSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H](CC1CC1)N1CC[C@@H](C#N)C1 1258468445 1170076943 /nfs/dbraw/zinc/07/69/43/1170076943.db2.gz XUVVCQVDPIUNAT-KOLCDFICSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H](CC1CC1)N1CCC[C@@H](C#N)C1 1258468169 1170077489 /nfs/dbraw/zinc/07/74/89/1170077489.db2.gz UGVYUODDNQGUPF-PWSUYJOCSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H](CC1CC1)N1CC[C@H](C#N)C1 1258468443 1170077574 /nfs/dbraw/zinc/07/75/74/1170077574.db2.gz XUVVCQVDPIUNAT-GXSJLCMTSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@@H](CC1CC1)N1CC[C@](C)(C#N)C1 1258469869 1170078089 /nfs/dbraw/zinc/07/80/89/1170078089.db2.gz JGXNWVRARRLOQX-CMPLNLGQSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@H](CC1CC1)N1CC[C@](C)(C#N)C1 1258469872 1170078237 /nfs/dbraw/zinc/07/82/37/1170078237.db2.gz JGXNWVRARRLOQX-ZYHUDNBSSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H](CC1CC1)N1CC[C@@H](C#N)C1 1258468447 1170078374 /nfs/dbraw/zinc/07/83/74/1170078374.db2.gz XUVVCQVDPIUNAT-ONGXEEELSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H](CC1CC1)N1CC[C@@](C)(C#N)C1 1258469871 1170078477 /nfs/dbraw/zinc/07/84/77/1170078477.db2.gz JGXNWVRARRLOQX-PWSUYJOCSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H](CC1CC1)N1CCC[C@H](C#N)C1 1258468167 1170078512 /nfs/dbraw/zinc/07/85/12/1170078512.db2.gz UGVYUODDNQGUPF-CMPLNLGQSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H](CC1CC1)N1CC[C@@](C)(C#N)C1 1258469870 1170078601 /nfs/dbraw/zinc/07/86/01/1170078601.db2.gz JGXNWVRARRLOQX-JQWIXIFHSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H](CC1CC1)N1CCC[C@@H](C#N)C1 1258468168 1170078696 /nfs/dbraw/zinc/07/86/96/1170078696.db2.gz UGVYUODDNQGUPF-JQWIXIFHSA-N 0 3 192.306 2.411 10 30 AEEEHN C=CCC[C@H](C)N(C)Cc1ccno1 1258732767 1170098674 /nfs/dbraw/zinc/09/86/74/1170098674.db2.gz BZEHFNYSCWCMKZ-JTQLQIEISA-N 0 3 194.278 2.461 10 30 AEEEHN C=CCC[C@@H](C)N(C)Cc1ccno1 1258732768 1170099300 /nfs/dbraw/zinc/09/93/00/1170099300.db2.gz BZEHFNYSCWCMKZ-SNVBAGLBSA-N 0 3 194.278 2.461 10 30 AEEEHN C#CCN(CCCCC)C1CSC1 1307918922 1170185574 /nfs/dbraw/zinc/18/55/74/1170185574.db2.gz PEWQHVOXLKEQOO-UHFFFAOYSA-N 0 3 197.347 2.227 10 30 AEEEHN C#CCN(CCC(C)C)C1CSC1 1307919464 1170186815 /nfs/dbraw/zinc/18/68/15/1170186815.db2.gz VWANBCLKENNNAO-UHFFFAOYSA-N 0 3 197.347 2.083 10 30 AEEEHN C=CC(C)(C)NCc1ncccc1C 1352111860 1170529940 /nfs/dbraw/zinc/52/99/40/1170529940.db2.gz IMZPKYXNIYRSTD-UHFFFAOYSA-N 0 3 190.290 2.444 10 30 AEEEHN C=CCNCc1cccc(Cl)c1N 1461009630 1170581280 /nfs/dbraw/zinc/58/12/80/1170581280.db2.gz OXTOMUMJDWATFK-UHFFFAOYSA-N 0 3 196.681 2.198 10 30 AEEEHN C#CCN(CC#C)CCCCC(C)C 1474355437 1170598235 /nfs/dbraw/zinc/59/82/35/1170598235.db2.gz NIOZCEFZEHKVLA-UHFFFAOYSA-N 0 3 191.318 2.381 10 30 AEEEHN C#CCN(CC#C)CC1(C)CCCC1 1560672716 1170665823 /nfs/dbraw/zinc/66/58/23/1170665823.db2.gz QGGCRJFGDNYDME-UHFFFAOYSA-N 0 3 189.302 2.135 10 30 AEEEHN C#CCCN[C@@H](C)c1ncccc1C 1656488730 1170923345 /nfs/dbraw/zinc/92/33/45/1170923345.db2.gz HOPGTWCJTZOPCT-NSHDSACASA-N 0 3 188.274 2.064 10 30 AEEEHN C#CCCN[C@H](C)c1ncccc1C 1656488729 1170924883 /nfs/dbraw/zinc/92/48/83/1170924883.db2.gz HOPGTWCJTZOPCT-LLVKDONJSA-N 0 3 188.274 2.064 10 30 AEEEHN C=CCCCNCc1ncccc1F 1657971470 1170928043 /nfs/dbraw/zinc/92/80/43/1170928043.db2.gz CTBPCHFQXFAYIR-UHFFFAOYSA-N 0 3 194.253 2.277 10 30 AEEEHN C=C(C)CCNCc1ncccc1F 1664776501 1170950044 /nfs/dbraw/zinc/95/00/44/1170950044.db2.gz ZRXIKXCNYARGDE-UHFFFAOYSA-N 0 3 194.253 2.277 10 30 AEEEHN C=CCCN(CCC#N)CC(C)C 70592544 571673015 /nfs/dbraw/zinc/67/30/15/571673015.db2.gz BVLCJRUZTSFMNQ-UHFFFAOYSA-N 0 3 180.295 2.434 10 30 AEEEHN C=CCCNCc1ncccc1C 70592421 571673171 /nfs/dbraw/zinc/67/31/71/571673171.db2.gz ZGFXTKOCIYWRDT-UHFFFAOYSA-N 0 3 176.263 2.056 10 30 AEEEHN C=CCCCN1CCCC[C@H]1C(C)=O 70592580 571673391 /nfs/dbraw/zinc/67/33/91/571673391.db2.gz VLIPLJUMCDWXMU-LBPRGKRZSA-N 0 3 195.306 2.396 10 30 AEEEHN C=CCCN[C@H]1COc2ccccc21 70592506 571673575 /nfs/dbraw/zinc/67/35/75/571673575.db2.gz ZVALHXSOEOYPMY-NSHDSACASA-N 0 3 189.258 2.286 10 30 AEEEHN C=CCCCNCc1cccc(C)n1 70592235 571673810 /nfs/dbraw/zinc/67/38/10/571673810.db2.gz GYJCTGSLYPQSSK-UHFFFAOYSA-N 0 3 190.290 2.446 10 30 AEEEHN C=CCCN[C@@H]1COc2ccccc21 70592505 571674050 /nfs/dbraw/zinc/67/40/50/571674050.db2.gz ZVALHXSOEOYPMY-LLVKDONJSA-N 0 3 189.258 2.286 10 30 AEEEHN C=CCCNCc1cccc(C)n1 70592234 571674319 /nfs/dbraw/zinc/67/43/19/571674319.db2.gz QHNXCGNHPPAQTO-UHFFFAOYSA-N 0 3 176.263 2.056 10 30 AEEEHN C=CCCN1CCCC[C@H]1C(C)=O 70592582 571674482 /nfs/dbraw/zinc/67/44/82/571674482.db2.gz JQKHJCXMHCAWBW-NSHDSACASA-N 0 3 181.279 2.006 10 30 AEEEHN C=CCCCNCc1ncccc1C 70592422 571675099 /nfs/dbraw/zinc/67/50/99/571675099.db2.gz PKHZHEIDESRAFQ-UHFFFAOYSA-N 0 3 190.290 2.446 10 30 AEEEHN C=CCCN1CCCC[C@@H]1C(C)=O 70592583 571675505 /nfs/dbraw/zinc/67/55/05/571675505.db2.gz JQKHJCXMHCAWBW-LLVKDONJSA-N 0 3 181.279 2.006 10 30 AEEEHN C=CCCCN1CCCC[C@@H]1C(C)=O 70592581 571675663 /nfs/dbraw/zinc/67/56/63/571675663.db2.gz VLIPLJUMCDWXMU-GFCCVEGCSA-N 0 3 195.306 2.396 10 30 AEEEHN C=CCC[C@H](NC)c1ccccn1 70594272 571677116 /nfs/dbraw/zinc/67/71/16/571677116.db2.gz HENZEBOJNKCVRZ-JTQLQIEISA-N 0 3 176.263 2.308 10 30 AEEEHN C=CCCC[C@@H](NC)c1cnccn1 70594521 571677148 /nfs/dbraw/zinc/67/71/48/571677148.db2.gz ZLGXGOVCJDWZPV-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCC[C@@H](NC)c1ccccn1 70594273 571677183 /nfs/dbraw/zinc/67/71/83/571677183.db2.gz HENZEBOJNKCVRZ-SNVBAGLBSA-N 0 3 176.263 2.308 10 30 AEEEHN C=CCC[C@H](NCC)c1cnccn1 70594526 571677347 /nfs/dbraw/zinc/67/73/47/571677347.db2.gz LIGMNHQJRWZJPK-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCC[C@@H](N)c1ncccc1C 70594738 571677494 /nfs/dbraw/zinc/67/74/94/571677494.db2.gz FUWUGLLDWLXFOQ-SNVBAGLBSA-N 0 3 176.263 2.356 10 30 AEEEHN C=CCC[C@@H](NCC)c1cnccn1 70594527 571677634 /nfs/dbraw/zinc/67/76/34/571677634.db2.gz LIGMNHQJRWZJPK-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCC[C@H](N)c1ncccc1C 70594739 571677765 /nfs/dbraw/zinc/67/77/65/571677765.db2.gz FUWUGLLDWLXFOQ-JTQLQIEISA-N 0 3 176.263 2.356 10 30 AEEEHN C=CCCC[C@H](NC)c1cnccn1 70594520 571677841 /nfs/dbraw/zinc/67/78/41/571677841.db2.gz ZLGXGOVCJDWZPV-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCCC[C@H](N)c1ccccn1 70594129 571677920 /nfs/dbraw/zinc/67/79/20/571677920.db2.gz KMGWCBHQWGRPQQ-JTQLQIEISA-N 0 3 176.263 2.438 10 30 AEEEHN C=CCCC[C@@H](N)c1ccccn1 70594130 571678015 /nfs/dbraw/zinc/67/80/15/571678015.db2.gz KMGWCBHQWGRPQQ-SNVBAGLBSA-N 0 3 176.263 2.438 10 30 AEEEHN C=CCCCN1CCCC[C@@H]1C=O 70595675 571678375 /nfs/dbraw/zinc/67/83/75/571678375.db2.gz CHWSATNJACRSMN-LLVKDONJSA-N 0 3 181.279 2.006 10 30 AEEEHN C=CCCCN1CCCC[C@H]1C=O 70595676 571678588 /nfs/dbraw/zinc/67/85/88/571678588.db2.gz CHWSATNJACRSMN-NSHDSACASA-N 0 3 181.279 2.006 10 30 AEEEHN C=CCC[C@@H](NCC)c1ccncn1 70595215 571678832 /nfs/dbraw/zinc/67/88/32/571678832.db2.gz GHKUNGLYPZKIKO-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCC[C@H](NCC)c1ccncn1 70595214 571678835 /nfs/dbraw/zinc/67/88/35/571678835.db2.gz GHKUNGLYPZKIKO-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCCC[C@H](NC)c1ccncn1 70595208 571679354 /nfs/dbraw/zinc/67/93/54/571679354.db2.gz IMRSYDKWNJZMID-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCC[C@H](N)c1cc(C)ccn1 70595175 571679389 /nfs/dbraw/zinc/67/93/89/571679389.db2.gz SUUBGVSIZAMXDL-JTQLQIEISA-N 0 3 176.263 2.356 10 30 AEEEHN C=CCC[C@@H](N)c1cc(C)ccn1 70595174 571679446 /nfs/dbraw/zinc/67/94/46/571679446.db2.gz SUUBGVSIZAMXDL-SNVBAGLBSA-N 0 3 176.263 2.356 10 30 AEEEHN C=CCCC[C@@H](NC)c1ccncn1 70595209 571680165 /nfs/dbraw/zinc/68/01/65/571680165.db2.gz IMRSYDKWNJZMID-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN CC[C@H](C#N)[C@H]1CCCCCN1C 213941110 571682879 /nfs/dbraw/zinc/68/28/79/571682879.db2.gz ZHNCSPRRBPPQRK-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H](C#N)[C@@H]1CCCCCN1C 213940925 571683083 /nfs/dbraw/zinc/68/30/83/571683083.db2.gz ZHNCSPRRBPPQRK-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H](C#N)[C@H]1CCCCCN1C 213941049 571683789 /nfs/dbraw/zinc/68/37/89/571683789.db2.gz ZHNCSPRRBPPQRK-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)[C@@H](C#N)C1CCN(C)CC1 213941709 571683808 /nfs/dbraw/zinc/68/38/08/571683808.db2.gz LSAJYZXPZAHWGN-LLVKDONJSA-N 0 3 180.295 2.124 10 30 AEEEHN CC(C)[C@H](C#N)C1CCN(C)CC1 213941771 571683814 /nfs/dbraw/zinc/68/38/14/571683814.db2.gz LSAJYZXPZAHWGN-NSHDSACASA-N 0 3 180.295 2.124 10 30 AEEEHN CC(C)[C@@H](C#N)[C@H]1CCCN(C)C1 213941963 571684408 /nfs/dbraw/zinc/68/44/08/571684408.db2.gz YXYNYPILQJLFEW-WDEREUQCSA-N 0 3 180.295 2.124 10 30 AEEEHN CC(C)[C@H](C#N)[C@@H]1CCCN(C)C1 213941904 571684838 /nfs/dbraw/zinc/68/48/38/571684838.db2.gz YXYNYPILQJLFEW-MNOVXSKESA-N 0 3 180.295 2.124 10 30 AEEEHN C#CCCNCc1ccc(F)cc1F 70558123 571689812 /nfs/dbraw/zinc/68/98/12/571689812.db2.gz OMXUCLKEYIWSIE-UHFFFAOYSA-N 0 3 195.212 2.078 10 30 AEEEHN C=C[C@@H](C)Oc1ccc(F)cc1CN 235234277 571698649 /nfs/dbraw/zinc/69/86/49/571698649.db2.gz FXSNMGFGOAQOCU-MRVPVSSYSA-N 0 3 195.237 2.238 10 30 AEEEHN C=C(Cl)CN[C@H](CCC)COC 70625855 571703982 /nfs/dbraw/zinc/70/39/82/571703982.db2.gz AFMUXNAMSJEZSE-SECBINFHSA-N 0 3 191.702 2.144 10 30 AEEEHN C=C(Cl)CN[C@@H](CCC)COC 70625854 571705003 /nfs/dbraw/zinc/70/50/03/571705003.db2.gz AFMUXNAMSJEZSE-VIFPVBQESA-N 0 3 191.702 2.144 10 30 AEEEHN C#CCCn1c(CN)cc2ccccc21 70630819 571707875 /nfs/dbraw/zinc/70/78/75/571707875.db2.gz HTGYQOIFASAEKB-UHFFFAOYSA-N 0 3 198.269 2.123 10 30 AEEEHN CC#CCn1c(CN)cc2ccccc21 70630822 571708180 /nfs/dbraw/zinc/70/81/80/571708180.db2.gz JNUQDLTXAARVDF-UHFFFAOYSA-N 0 3 198.269 2.123 10 30 AEEEHN C[C@@H]1CCCN([C@@H]2CCC[C@@H]2C#N)C1 37145793 571709350 /nfs/dbraw/zinc/70/93/50/571709350.db2.gz IFQIZEQPUAENAE-IJLUTSLNSA-N 0 3 192.306 2.411 10 30 AEEEHN CC(C)N(C)[C@H]1CCC[C@@H]1C#N 37146186 571709487 /nfs/dbraw/zinc/70/94/87/571709487.db2.gz FWIOGYNWDSELGE-ZJUUUORDSA-N 0 3 166.268 2.019 10 30 AEEEHN C#CCN[C@H](C)Cc1ccc(C)s1 70633815 571710515 /nfs/dbraw/zinc/71/05/15/571710515.db2.gz VBSSXEQNMLQHSY-SECBINFHSA-N 0 3 193.315 2.210 10 30 AEEEHN C[C@@H]1CC[C@H](C#N)[C@H](N2CCCC2)C1 37145593 571711363 /nfs/dbraw/zinc/71/13/63/571711363.db2.gz UTOHBPDLBWDMGU-IJLUTSLNSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@H](C)N(C)[C@@H]1CCC[C@@H]1C#N 37147209 571710741 /nfs/dbraw/zinc/71/07/41/571710741.db2.gz UYSCZJRWRARPLZ-HBNTYKKESA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C)N(C)[C@@H]1CCCC[C@@H]1C#N 37146187 571711031 /nfs/dbraw/zinc/71/10/31/571711031.db2.gz DOBKZJLSWJBROY-GHMZBOCLSA-N 0 3 180.295 2.409 10 30 AEEEHN C#CCN[C@@H](C)Cc1ccc(C)s1 70633816 571711100 /nfs/dbraw/zinc/71/11/00/571711100.db2.gz VBSSXEQNMLQHSY-VIFPVBQESA-N 0 3 193.315 2.210 10 30 AEEEHN CC(C)N(C)[C@@H]1CCC[C@@H]1C#N 37146185 571711333 /nfs/dbraw/zinc/71/13/33/571711333.db2.gz FWIOGYNWDSELGE-NXEZZACHSA-N 0 3 166.268 2.019 10 30 AEEEHN C[C@@H]1CC[C@@H](C#N)[C@H](N2CCCC2)C1 37145595 571711358 /nfs/dbraw/zinc/71/13/58/571711358.db2.gz UTOHBPDLBWDMGU-GRYCIOLGSA-N 0 3 192.306 2.411 10 30 AEEEHN CC(C)N(C)[C@H]1CCCC[C@@H]1C#N 37146188 571711686 /nfs/dbraw/zinc/71/16/86/571711686.db2.gz DOBKZJLSWJBROY-MNOVXSKESA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2C#N)C1 70644082 571717313 /nfs/dbraw/zinc/71/73/13/571717313.db2.gz PGQOLJCVQMGUTE-DDHJBXDOSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@H]1CC[C@@H](NC[C@@H](C)C#N)C1 70644016 571717347 /nfs/dbraw/zinc/71/73/47/571717347.db2.gz GOEQHKOTAXZSJP-GARJFASQSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H]1CC[C@H](N[C@@H]2CCC[C@@H]2C#N)C1 70644080 571717370 /nfs/dbraw/zinc/71/73/70/571717370.db2.gz PGQOLJCVQMGUTE-WHOHXGKFSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2C#N)C1 70644084 571717389 /nfs/dbraw/zinc/71/73/89/571717389.db2.gz PGQOLJCVQMGUTE-IRCOFANPSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H]1CC[C@H](NC[C@@H](C)C#N)C1 70644011 571717397 /nfs/dbraw/zinc/71/73/97/571717397.db2.gz GOEQHKOTAXZSJP-AXFHLTTASA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@@H]1CC[C@H](NCCC#N)C1 70642961 571717408 /nfs/dbraw/zinc/71/74/08/571717408.db2.gz HFXAFIAFGQNFFE-ZJUUUORDSA-N 0 3 166.268 2.068 10 30 AEEEHN CC[C@@H]1CC[C@@H](NCCC#N)C1 70642963 571717912 /nfs/dbraw/zinc/71/79/12/571717912.db2.gz HFXAFIAFGQNFFE-NXEZZACHSA-N 0 3 166.268 2.068 10 30 AEEEHN N#Cc1cccc(CN2CC3CC2C3)c1 214112152 571717965 /nfs/dbraw/zinc/71/79/65/571717965.db2.gz XUEMNZQVDXMRFE-UHFFFAOYSA-N 0 3 198.269 2.152 10 30 AEEEHN CC[C@H]1CC[C@H](NCCC#N)C1 70642962 571718248 /nfs/dbraw/zinc/71/82/48/571718248.db2.gz HFXAFIAFGQNFFE-UWVGGRQHSA-N 0 3 166.268 2.068 10 30 AEEEHN CC[C@@H]1CC[C@@H](NC[C@@H](C)C#N)C1 70644015 571718506 /nfs/dbraw/zinc/71/85/06/571718506.db2.gz GOEQHKOTAXZSJP-HBNTYKKESA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@H]1CC[C@@H](NCCC#N)C1 70642964 571718935 /nfs/dbraw/zinc/71/89/35/571718935.db2.gz HFXAFIAFGQNFFE-VHSXEESVSA-N 0 3 166.268 2.068 10 30 AEEEHN CNCc1cc2cc(C#N)ccc2o1 168463308 571721021 /nfs/dbraw/zinc/72/10/21/571721021.db2.gz CYPUXFURMBTTPV-UHFFFAOYSA-N 0 3 186.214 2.024 10 30 AEEEHN CC1=C[C@H](C)C[C@H](CNCCC#N)C1 235283632 571721871 /nfs/dbraw/zinc/72/18/71/571721871.db2.gz LTKJJWCZAARKAJ-JQWIXIFHSA-N 0 3 192.306 2.482 10 30 AEEEHN CN1CCC[C@@H]([C@@H](C#N)C2CCC2)C1 214138431 571722587 /nfs/dbraw/zinc/72/25/87/571722587.db2.gz DSEKDKQNKHGCLG-NEPJUHHUSA-N 0 3 192.306 2.268 10 30 AEEEHN CN1CC[C@H]([C@@H](C#N)C2CCCC2)C1 214138520 571722631 /nfs/dbraw/zinc/72/26/31/571722631.db2.gz QUJJJSKSFPZBTG-RYUDHWBXSA-N 0 3 192.306 2.268 10 30 AEEEHN CN1CCC([C@@H](C#N)C2CCC2)CC1 214138226 571722805 /nfs/dbraw/zinc/72/28/05/571722805.db2.gz LRMZETZJRWINOP-LBPRGKRZSA-N 0 3 192.306 2.268 10 30 AEEEHN CN1CCC([C@H](C#N)C2CCC2)CC1 214138284 571723316 /nfs/dbraw/zinc/72/33/16/571723316.db2.gz LRMZETZJRWINOP-GFCCVEGCSA-N 0 3 192.306 2.268 10 30 AEEEHN CN1CCC[C@H]([C@@H](C#N)C2CCC2)C1 214138373 571723519 /nfs/dbraw/zinc/72/35/19/571723519.db2.gz DSEKDKQNKHGCLG-RYUDHWBXSA-N 0 3 192.306 2.268 10 30 AEEEHN CN1CCCCC[C@@H]1[C@@H](C#N)C1CC1 214137530 571723535 /nfs/dbraw/zinc/72/35/35/571723535.db2.gz UHWYYFHFQXNIJM-NWDGAFQWSA-N 0 3 192.306 2.411 10 30 AEEEHN CN1CCCCC[C@H]1[C@@H](C#N)C1CC1 214137576 571723898 /nfs/dbraw/zinc/72/38/98/571723898.db2.gz UHWYYFHFQXNIJM-RYUDHWBXSA-N 0 3 192.306 2.411 10 30 AEEEHN CC#CCN[C@H](C)Cc1cccs1 70850992 571733026 /nfs/dbraw/zinc/73/30/26/571733026.db2.gz OICCHUHLPWESOX-SNVBAGLBSA-N 0 3 193.315 2.292 10 30 AEEEHN CC#CCN[C@@H](C)Cc1cccs1 70850989 571733767 /nfs/dbraw/zinc/73/37/67/571733767.db2.gz OICCHUHLPWESOX-JTQLQIEISA-N 0 3 193.315 2.292 10 30 AEEEHN 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/nfs/dbraw/zinc/75/56/10/571755610.db2.gz UHUGVRYYRCTXQN-HBNTYKKESA-N 0 3 178.279 2.068 10 30 AEEEHN CC(C)O/N=C/c1ccc(N)cc1 138881086 571756829 /nfs/dbraw/zinc/75/68/29/571756829.db2.gz WJBMKUIUWLKVQT-KPKJPENVSA-N 0 3 178.235 2.028 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1C[C@H]2CC=C[C@@H]21 70797223 571757024 /nfs/dbraw/zinc/75/70/24/571757024.db2.gz SEXPGHQJEKQOST-WISYIIOYSA-N 0 3 190.290 2.233 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1C[C@@H]2CCCC[C@H]21 712419958 571757324 /nfs/dbraw/zinc/75/73/24/571757324.db2.gz OLIAGYSQFFIIHU-WRWGMCAJSA-N 0 3 192.306 2.314 10 30 AEEEHN CC1=C[C@@H](C)C[C@H](CNCCC#N)C1 235700741 571757590 /nfs/dbraw/zinc/75/75/90/571757590.db2.gz LTKJJWCZAARKAJ-PWSUYJOCSA-N 0 3 192.306 2.482 10 30 AEEEHN C[C@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]1C#N 70830364 571761999 /nfs/dbraw/zinc/76/19/99/571761999.db2.gz ZNUJYHLWGQSKOU-WHOHXGKFSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H](CC#N)N[C@H]1CCC[C@@H]1C 70831388 571762274 /nfs/dbraw/zinc/76/22/74/571762274.db2.gz QTPSFHLAZOMMSZ-DCAQKATOSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CC#N)N[C@@H]1CCC[C@@H]1C 70831679 571762453 /nfs/dbraw/zinc/76/24/53/571762453.db2.gz XZYZJCQKMOKXKU-LPEHRKFASA-N 0 3 166.268 2.067 10 30 AEEEHN C[C@@H]1CCC[C@H]1N[C@@H]1CCC[C@@H]1C#N 70830368 571762648 /nfs/dbraw/zinc/76/26/48/571762648.db2.gz ZNUJYHLWGQSKOU-DDHJBXDOSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H]1CCC[C@H]1N[C@@H]1CCC[C@@H]1C#N 70830371 571762828 /nfs/dbraw/zinc/76/28/28/571762828.db2.gz ZNUJYHLWGQSKOU-IRCOFANPSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H](CC#N)N[C@@H]1CCC[C@@H]1C 70831382 571763341 /nfs/dbraw/zinc/76/33/41/571763341.db2.gz QTPSFHLAZOMMSZ-GARJFASQSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CC#N)N[C@H]1CCC[C@@H]1C 70831669 571763850 /nfs/dbraw/zinc/76/38/50/571763850.db2.gz XZYZJCQKMOKXKU-GUBZILKMSA-N 0 3 166.268 2.067 10 30 AEEEHN C=C[C@H](C)Oc1ccc(C)cc1CN 70954125 571772771 /nfs/dbraw/zinc/77/27/71/571772771.db2.gz FSUCNRKRMTZXNZ-JTQLQIEISA-N 0 3 191.274 2.407 10 30 AEEEHN C=CCOc1ccc(C)cc1CNC 70954543 571773211 /nfs/dbraw/zinc/77/32/11/571773211.db2.gz NBRKVNJLMUCCLA-UHFFFAOYSA-N 0 3 191.274 2.279 10 30 AEEEHN C=C[C@@H](C)Oc1ccc(C)cc1CN 70954129 571773844 /nfs/dbraw/zinc/77/38/44/571773844.db2.gz FSUCNRKRMTZXNZ-SNVBAGLBSA-N 0 3 191.274 2.407 10 30 AEEEHN C=C(C)COc1ccc(C)cc1CN 70954331 571773871 /nfs/dbraw/zinc/77/38/71/571773871.db2.gz CYPPFFADYGWBIN-UHFFFAOYSA-N 0 3 191.274 2.409 10 30 AEEEHN C=CC[C@@H](NC)c1cnc(C)s1 234449193 571774676 /nfs/dbraw/zinc/77/46/76/571774676.db2.gz KDRJOYUBGRVFTQ-MRVPVSSYSA-N 0 3 182.292 2.288 10 30 AEEEHN C=C[C@H](NC)c1ccc(C)cc1OC 234431902 571776267 /nfs/dbraw/zinc/77/62/67/571776267.db2.gz JLAPTPOEBOJEBK-NSHDSACASA-N 0 3 191.274 2.450 10 30 AEEEHN CC[C@@H](N)C(=O)C1=CCCCCC1 233889260 571778401 /nfs/dbraw/zinc/77/84/01/571778401.db2.gz JTTWTEMULFLOCV-SNVBAGLBSA-N 0 3 181.279 2.183 10 30 AEEEHN CCC(C#N)C(=O)c1ccco1 37507695 571783542 /nfs/dbraw/zinc/78/35/42/571783542.db2.gz BZWAWPYGIXSKNU-SSDOTTSWSA-N 0 3 163.176 2.012 10 30 AEEEHN CCC(C#N)C(=O)c1ccco1 37507694 571783870 /nfs/dbraw/zinc/78/38/70/571783870.db2.gz BZWAWPYGIXSKNU-ZETCQYMHSA-N 0 3 163.176 2.012 10 30 AEEEHN C[NH2+][C@H](C)[C@@H]([S-])c1ccccc1 1999442 571785719 /nfs/dbraw/zinc/78/57/19/571785719.db2.gz QTTCJJGIROEAEK-PSASIEDQSA-N 0 3 181.304 2.265 10 30 AEEEHN C#C[C@H](NCCOC(C)(C)C)C(C)C 301017254 571788725 /nfs/dbraw/zinc/78/87/25/571788725.db2.gz ZYOZCYCMRBFOKZ-NSHDSACASA-N 0 3 197.322 2.049 10 30 AEEEHN C#C[C@@H](NCCOC(C)(C)C)C(C)C 301017253 571789746 /nfs/dbraw/zinc/78/97/46/571789746.db2.gz ZYOZCYCMRBFOKZ-LLVKDONJSA-N 0 3 197.322 2.049 10 30 AEEEHN CC[C@@H](C)NCc1ccccc1C#N 20036467 571796785 /nfs/dbraw/zinc/79/67/85/571796785.db2.gz PFTFMQCZMKHOSD-SNVBAGLBSA-N 0 3 188.274 2.446 10 30 AEEEHN CC(C)CNCc1ccccc1C#N 20036834 571797153 /nfs/dbraw/zinc/79/71/53/571797153.db2.gz VWALBCSXBHNVJM-UHFFFAOYSA-N 0 3 188.274 2.304 10 30 AEEEHN CC[C@H](C)NCc1ccccc1C#N 20036471 571797601 /nfs/dbraw/zinc/79/76/01/571797601.db2.gz PFTFMQCZMKHOSD-JTQLQIEISA-N 0 3 188.274 2.446 10 30 AEEEHN CCCCNCc1ccccc1C#N 20044321 571797770 /nfs/dbraw/zinc/79/77/70/571797770.db2.gz SOGGXEYGRWMUTJ-UHFFFAOYSA-N 0 3 188.274 2.448 10 30 AEEEHN CCCNCc1ccccc1C#N 20056546 571798434 /nfs/dbraw/zinc/79/84/34/571798434.db2.gz DTKKPRKFGSNSNM-UHFFFAOYSA-N 0 3 174.247 2.058 10 30 AEEEHN C/C=N\Cc1ccc(OC)cc1 100242517 571801159 /nfs/dbraw/zinc/80/11/59/571801159.db2.gz SHWWDKFGQFAYAC-JYOAFUTRSA-N 0 3 163.220 2.286 10 30 AEEEHN CC(C)C[N@@H+]1CCC[C@@H]([S-])C1 73652481 571805415 /nfs/dbraw/zinc/80/54/15/571805415.db2.gz NJFWTJVPDZWKGC-SECBINFHSA-N 0 3 173.325 2.037 10 30 AEEEHN CC(C)C[N@H+]1CCC[C@@H]([S-])C1 73652481 571805419 /nfs/dbraw/zinc/80/54/19/571805419.db2.gz NJFWTJVPDZWKGC-SECBINFHSA-N 0 3 173.325 2.037 10 30 AEEEHN CC1CCC(N[C@H](C)CC#N)CC1 37871234 571807353 /nfs/dbraw/zinc/80/73/53/571807353.db2.gz MUGGVQFMMLASPN-HSOILSAZSA-N 0 3 180.295 2.457 10 30 AEEEHN CC1CCC(N[C@@H](C)CC#N)CC1 37871233 571808532 /nfs/dbraw/zinc/80/85/32/571808532.db2.gz MUGGVQFMMLASPN-YVNMAJEFSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](c1cccs1)N(C)C[C@H]1CO1 251278587 571809516 /nfs/dbraw/zinc/80/95/16/571809516.db2.gz QLUGGZVSOQDSDT-IUCAKERBSA-N 0 3 197.303 2.140 10 30 AEEEHN CCC[C@H](C)CN1CCCC[C@H]1C=O 251395548 571813194 /nfs/dbraw/zinc/81/31/94/571813194.db2.gz YXJPLCQVGQLNMH-RYUDHWBXSA-N 0 3 197.322 2.476 10 30 AEEEHN CCC[C@@H](C)CN1CCCC[C@H]1C=O 251395547 571813956 /nfs/dbraw/zinc/81/39/56/571813956.db2.gz YXJPLCQVGQLNMH-NEPJUHHUSA-N 0 3 197.322 2.476 10 30 AEEEHN CC[C@@H](CC#N)N1CCC[C@@H]1C 37910761 571814233 /nfs/dbraw/zinc/81/42/33/571814233.db2.gz VIFRBPFSMJSQLA-UWVGGRQHSA-N 0 3 166.268 2.163 10 30 AEEEHN CN(CCCCC#N)Cc1ccc[nH]1 687802106 571818077 /nfs/dbraw/zinc/81/80/77/571818077.db2.gz ZGWWVSZICAHCBJ-UHFFFAOYSA-N 0 3 191.278 2.140 10 30 AEEEHN CC[C@H](CC#N)N1CCC[C@@H]1C 37910762 571816728 /nfs/dbraw/zinc/81/67/28/571816728.db2.gz VIFRBPFSMJSQLA-VHSXEESVSA-N 0 3 166.268 2.163 10 30 AEEEHN C[C@@H]1CCCN1[C@@H]1CCC[C@@H]1C#N 37910769 571818407 /nfs/dbraw/zinc/81/84/07/571818407.db2.gz UZHMZIJWPLKCHX-GMTAPVOTSA-N 0 3 178.279 2.163 10 30 AEEEHN C#CCCNCc1cc(C)ccc1F 235756001 571820515 /nfs/dbraw/zinc/82/05/15/571820515.db2.gz MXVAWZPLUJMGET-UHFFFAOYSA-N 0 3 191.249 2.247 10 30 AEEEHN CC[C@H](C)[C@@H](C)N[C@H](C)CC#N 251729372 571822958 /nfs/dbraw/zinc/82/29/58/571822958.db2.gz FKMVOVPWOFCBGP-IVZWLZJFSA-N 0 3 168.284 2.313 10 30 AEEEHN CC(C)/N=C\c1ccc(O)cc1 110792588 571823869 /nfs/dbraw/zinc/82/38/69/571823869.db2.gz JELJMBCKOPAEOI-XFFZJAGNSA-N 0 3 163.220 2.220 10 30 AEEEHN CC[C@H](C)N(C)[C@H](CC)CC#N 252432796 571825296 /nfs/dbraw/zinc/82/52/96/571825296.db2.gz AOQWVCRBXPEQSH-VHSXEESVSA-N 0 3 168.284 2.409 10 30 AEEEHN CC[C@@H](C)CN1CCCC[C@H]1C=O 251860545 571827226 /nfs/dbraw/zinc/82/72/26/571827226.db2.gz OIIMDAIYOLOUCY-MNOVXSKESA-N 0 3 183.295 2.086 10 30 AEEEHN CC(C)CC(C#N)C(=O)[C@H]1C[C@H]1C 252124737 571827383 /nfs/dbraw/zinc/82/73/83/571827383.db2.gz LGQFUMRSAGLCEW-BBBLOLIVSA-N 0 3 179.263 2.397 10 30 AEEEHN CC[C@H](C)CN1CCCC[C@H]1C=O 251860547 571827469 /nfs/dbraw/zinc/82/74/69/571827469.db2.gz OIIMDAIYOLOUCY-QWRGUYRKSA-N 0 3 183.295 2.086 10 30 AEEEHN CC[C@@H](C)N(C)[C@H](CC)CC#N 252432795 571828720 /nfs/dbraw/zinc/82/87/20/571828720.db2.gz AOQWVCRBXPEQSH-NXEZZACHSA-N 0 3 168.284 2.409 10 30 AEEEHN CC[C@@H](CC#N)N(C)[C@H](C)C1CC1 252417226 571828959 /nfs/dbraw/zinc/82/89/59/571828959.db2.gz UIUIFITUUGUDJT-KOLCDFICSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H](CC#N)N(C)[C@H](C)C1CC1 252417227 571831842 /nfs/dbraw/zinc/83/18/42/571831842.db2.gz UIUIFITUUGUDJT-MWLCHTKSSA-N 0 3 180.295 2.409 10 30 AEEEHN C=C[C@H](N)c1cccc(OCC)c1 78678149 571832753 /nfs/dbraw/zinc/83/27/53/571832753.db2.gz UNQPOUDJSNLCLO-NSHDSACASA-N 0 3 177.247 2.271 10 30 AEEEHN C=C[C@@H](N)c1cccc(OCC)c1 78678145 571832921 /nfs/dbraw/zinc/83/29/21/571832921.db2.gz UNQPOUDJSNLCLO-LLVKDONJSA-N 0 3 177.247 2.271 10 30 AEEEHN CCCN(CC)[C@@H]1CCC[C@H]1C#N 252434910 571834404 /nfs/dbraw/zinc/83/44/04/571834404.db2.gz GZCJGAYAESAWBA-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)[C@H](C)N(C)[C@H](C)CC#N 252439511 571834793 /nfs/dbraw/zinc/83/47/93/571834793.db2.gz POEGJPDOCDFWHY-ZJUUUORDSA-N 0 3 168.284 2.265 10 30 AEEEHN C[C@H](CC#N)N(C)[C@H](C)C1CC1 252440263 571835622 /nfs/dbraw/zinc/83/56/22/571835622.db2.gz ZFKSJFRAJDYOFU-RKDXNWHRSA-N 0 3 166.268 2.019 10 30 AEEEHN CC[C@H](C)N(CC)[C@H](C)CC#N 252439959 571835927 /nfs/dbraw/zinc/83/59/27/571835927.db2.gz VGDBNZDFQXUCQL-VHSXEESVSA-N 0 3 168.284 2.409 10 30 AEEEHN CCC[C@@H](C)N(C)[C@H](C)CC#N 252439127 571836178 /nfs/dbraw/zinc/83/61/78/571836178.db2.gz KUTPXXNIODPDSA-NXEZZACHSA-N 0 3 168.284 2.409 10 30 AEEEHN CC(C)[C@@H](C)N(C)[C@H](C)CC#N 252439510 571836823 /nfs/dbraw/zinc/83/68/23/571836823.db2.gz POEGJPDOCDFWHY-NXEZZACHSA-N 0 3 168.284 2.265 10 30 AEEEHN C[NH2+][C@@H](C)[C@H]([S-])c1ccccc1 5298947 571836931 /nfs/dbraw/zinc/83/69/31/571836931.db2.gz QTTCJJGIROEAEK-WPRPVWTQSA-N 0 3 181.304 2.265 10 30 AEEEHN CC[C@@H](C)N(CC)[C@H](C)CC#N 252439958 571837077 /nfs/dbraw/zinc/83/70/77/571837077.db2.gz VGDBNZDFQXUCQL-NXEZZACHSA-N 0 3 168.284 2.409 10 30 AEEEHN CCC[C@H](C)N(C)[C@H](C)CC#N 252439128 571838042 /nfs/dbraw/zinc/83/80/42/571838042.db2.gz KUTPXXNIODPDSA-VHSXEESVSA-N 0 3 168.284 2.409 10 30 AEEEHN CCCN(CC)[C@H]1CCC[C@H]1C#N 252434909 571838395 /nfs/dbraw/zinc/83/83/95/571838395.db2.gz GZCJGAYAESAWBA-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H](CC#N)N(C)[C@H](C)C1CC1 252440262 571838489 /nfs/dbraw/zinc/83/84/89/571838489.db2.gz ZFKSJFRAJDYOFU-DTWKUNHWSA-N 0 3 166.268 2.019 10 30 AEEEHN CC(C)[C@H](C#N)CNC(C)(C)C 258658465 571839306 /nfs/dbraw/zinc/83/93/06/571839306.db2.gz NJPCUELFHWWJKA-SECBINFHSA-N 0 3 168.284 2.170 10 30 AEEEHN CC(C)[C@@H](C#N)CNC(C)(C)C 258658468 571840733 /nfs/dbraw/zinc/84/07/33/571840733.db2.gz NJPCUELFHWWJKA-VIFPVBQESA-N 0 3 168.284 2.170 10 30 AEEEHN CN(CC(C)(C)C#N)C(C)(C)C 258826045 571843033 /nfs/dbraw/zinc/84/30/33/571843033.db2.gz AUAVTXHVVLGKPG-UHFFFAOYSA-N 0 3 168.284 2.266 10 30 AEEEHN FC1(F)CCN(CCCS)CC1 259299778 571843343 /nfs/dbraw/zinc/84/33/43/571843343.db2.gz CLJDRCFFOGIMNO-UHFFFAOYSA-N 0 3 195.278 2.037 10 30 AEEEHN CC[C@@H]1C[C@@H]1N[C@@H]1CCCC[C@@H]1C#N 233915315 571843996 /nfs/dbraw/zinc/84/39/96/571843996.db2.gz RKTUUOUEOAYDDY-KKOKHZNYSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H](C)NC[C@@H](C#N)C(C)C 258725929 571844313 /nfs/dbraw/zinc/84/43/13/571844313.db2.gz UTCGEVAZASEDCD-NXEZZACHSA-N 0 3 168.284 2.170 10 30 AEEEHN CC(C)[C@@H](C#N)CNCC(C)(C)C 259065766 571845181 /nfs/dbraw/zinc/84/51/81/571845181.db2.gz UBDNAEHCVDGZTG-JTQLQIEISA-N 0 3 182.311 2.418 10 30 AEEEHN CC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@@H]1C#N 233915515 571846082 /nfs/dbraw/zinc/84/60/82/571846082.db2.gz OHXMLXUASKWORZ-DBIOUOCHSA-N 0 3 178.279 2.067 10 30 AEEEHN N#CC(C=O)Cc1ccccc1Cl 38434804 571848156 /nfs/dbraw/zinc/84/81/56/571848156.db2.gz OMNHWZOVTSOJEV-MRVPVSSYSA-N 0 3 193.633 2.221 10 30 AEEEHN N#CC(C=O)Cc1ccccc1Cl 38434805 571849465 /nfs/dbraw/zinc/84/94/65/571849465.db2.gz OMNHWZOVTSOJEV-QMMMGPOBSA-N 0 3 193.633 2.221 10 30 AEEEHN CCC1=CC(=O)C=C(CC)C1=N 5819521 571850401 /nfs/dbraw/zinc/85/04/01/571850401.db2.gz LIRQQKZNKBTPRG-UHFFFAOYSA-N 0 3 163.220 2.262 10 30 AEEEHN [NH3+]C[C@@H]([S-])c1ccc(Cl)cc1 5889355 571851503 /nfs/dbraw/zinc/85/15/03/571851503.db2.gz UEYUSIAKZFATBY-MRVPVSSYSA-N 0 3 187.695 2.270 10 30 AEEEHN C=C(C)CC[C@@H](NC)c1cn(C)cn1 234461614 571854834 /nfs/dbraw/zinc/85/48/34/571854834.db2.gz PRZQVNJKBXLQFG-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN C=CC[C@H](N)c1ccnn1C(C)C 300725250 571859540 /nfs/dbraw/zinc/85/95/40/571859540.db2.gz BMQXXHWWCXBAGA-VIFPVBQESA-N 0 3 179.267 2.040 10 30 AEEEHN C=CC[C@@H](N)c1ccnn1C(C)C 300725249 571858916 /nfs/dbraw/zinc/85/89/16/571858916.db2.gz BMQXXHWWCXBAGA-SECBINFHSA-N 0 3 179.267 2.040 10 30 AEEEHN C=C(C)[C@H](N)c1ccoc1CC 234246333 571860079 /nfs/dbraw/zinc/86/00/79/571860079.db2.gz HPGFTBVOQPQYGL-JTQLQIEISA-N 0 3 165.236 2.418 10 30 AEEEHN CC#CC[C@H](N)c1ccoc1CC 234246857 571863312 /nfs/dbraw/zinc/86/33/12/571863312.db2.gz BVENOYJKBAEHNR-JTQLQIEISA-N 0 3 177.247 2.255 10 30 AEEEHN CSC[C@@H](C)NCC#CC(C)(C)C 300732596 571864357 /nfs/dbraw/zinc/86/43/57/571864357.db2.gz GDLHIDKFFKHCJN-SNVBAGLBSA-N 0 3 199.363 2.377 10 30 AEEEHN COCC(C)(C)NCC#CC(C)(C)C 300730449 571864775 /nfs/dbraw/zinc/86/47/75/571864775.db2.gz FLRJLYTWITXVLH-UHFFFAOYSA-N 0 3 197.322 2.051 10 30 AEEEHN CC[C@@H](COC)NCC#CC(C)(C)C 300735062 571865027 /nfs/dbraw/zinc/86/50/27/571865027.db2.gz GXUQRUVYLHHGPO-NSHDSACASA-N 0 3 197.322 2.051 10 30 AEEEHN C#C[C@H](CCC)NCC#CC(C)(C)C 300732086 571866026 /nfs/dbraw/zinc/86/60/26/571866026.db2.gz FYTSDUGBSHCZKZ-GFCCVEGCSA-N 0 3 191.318 2.427 10 30 AEEEHN CC[C@H](COC)NCC#CC(C)(C)C 300735060 571866066 /nfs/dbraw/zinc/86/60/66/571866066.db2.gz GXUQRUVYLHHGPO-LLVKDONJSA-N 0 3 197.322 2.051 10 30 AEEEHN C#C[C@@H](CCC)NCC#CC(C)(C)C 300732089 571866287 /nfs/dbraw/zinc/86/62/87/571866287.db2.gz FYTSDUGBSHCZKZ-LBPRGKRZSA-N 0 3 191.318 2.427 10 30 AEEEHN COC(C)(C)CNCC#CC(C)(C)C 300735951 571867024 /nfs/dbraw/zinc/86/70/24/571867024.db2.gz HEVQOHBRXOQYOP-UHFFFAOYSA-N 0 3 197.322 2.051 10 30 AEEEHN N#CC(C=O)CC1CCCCC1 39038394 571870080 /nfs/dbraw/zinc/87/00/80/571870080.db2.gz IZQJSJYBFVOSDJ-SNVBAGLBSA-N 0 3 165.236 2.295 10 30 AEEEHN CCOC[C@H](C)NCC#CC(C)(C)C 300742326 571872174 /nfs/dbraw/zinc/87/21/74/571872174.db2.gz ISLGNJMPGCYECO-NSHDSACASA-N 0 3 197.322 2.051 10 30 AEEEHN C=CC[C@@H](N)C(=O)CCC1CCCC1 300739058 571869512 /nfs/dbraw/zinc/86/95/12/571869512.db2.gz HYPDXJHSHMMYED-LLVKDONJSA-N 0 3 195.306 2.429 10 30 AEEEHN CCOC[C@@H](C)NCC#CC(C)(C)C 300742324 571871005 /nfs/dbraw/zinc/87/10/05/571871005.db2.gz ISLGNJMPGCYECO-LLVKDONJSA-N 0 3 197.322 2.051 10 30 AEEEHN N#CC(C=O)CC1CCCCC1 39038395 571871385 /nfs/dbraw/zinc/87/13/85/571871385.db2.gz IZQJSJYBFVOSDJ-JTQLQIEISA-N 0 3 165.236 2.295 10 30 AEEEHN CC(C)OCCNCC#CC(C)(C)C 300756794 571881058 /nfs/dbraw/zinc/88/10/58/571881058.db2.gz MUGBLIGWVKJPIH-UHFFFAOYSA-N 0 3 197.322 2.051 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@H]1CC 233950030 571887302 /nfs/dbraw/zinc/88/73/02/571887302.db2.gz CYVVRQLNFJXAPS-HTQZYQBOSA-N 0 3 159.660 2.127 10 30 AEEEHN CC(C)[C@H]1CCCC(C#N)C1=O 39104024 571889234 /nfs/dbraw/zinc/88/92/34/571889234.db2.gz QEZPSBXATFTLIR-RKDXNWHRSA-N 0 3 165.236 2.151 10 30 AEEEHN CC(C)[C@@H]1CCCC(C#N)C1=O 39104023 571889330 /nfs/dbraw/zinc/88/93/30/571889330.db2.gz QEZPSBXATFTLIR-BDAKNGLRSA-N 0 3 165.236 2.151 10 30 AEEEHN CC(C)[C@H]1CCCC(C#N)C1=O 39104026 571889821 /nfs/dbraw/zinc/88/98/21/571889821.db2.gz QEZPSBXATFTLIR-DTWKUNHWSA-N 0 3 165.236 2.151 10 30 AEEEHN CCCN(CCC)C[C@@H](C)C#N 31945855 571889867 /nfs/dbraw/zinc/88/98/67/571889867.db2.gz GMNTWNVJCVLYFY-JTQLQIEISA-N 0 3 168.284 2.268 10 30 AEEEHN CCCN(CCC)C[C@H](C)C#N 31945856 571890776 /nfs/dbraw/zinc/89/07/76/571890776.db2.gz GMNTWNVJCVLYFY-SNVBAGLBSA-N 0 3 168.284 2.268 10 30 AEEEHN CC(C)[C@@H]1CCCC(C#N)C1=O 39104025 571890902 /nfs/dbraw/zinc/89/09/02/571890902.db2.gz QEZPSBXATFTLIR-IUCAKERBSA-N 0 3 165.236 2.151 10 30 AEEEHN CC1=C(C)[C@](C2CC2)(N(C)C)CC1=O 39112302 571893531 /nfs/dbraw/zinc/89/35/31/571893531.db2.gz SOCWCLWAVPLPIE-GFCCVEGCSA-N 0 3 193.290 2.006 10 30 AEEEHN CC1=C(C)[C@@](C2CC2)(N(C)C)CC1=O 39112301 571893553 /nfs/dbraw/zinc/89/35/53/571893553.db2.gz SOCWCLWAVPLPIE-LBPRGKRZSA-N 0 3 193.290 2.006 10 30 AEEEHN C=C(C)[C@@H]1CSC(C)(C)N1 196398305 571895419 /nfs/dbraw/zinc/89/54/19/571895419.db2.gz LUJQETQNFDPYJG-ZETCQYMHSA-N 0 3 157.282 2.004 10 30 AEEEHN C=C(C)[C@H]1CSC(C)(C)N1 196398313 571896475 /nfs/dbraw/zinc/89/64/75/571896475.db2.gz LUJQETQNFDPYJG-SSDOTTSWSA-N 0 3 157.282 2.004 10 30 AEEEHN CC[C@@](C)(N)C(=O)C1=CCCCC1 233956621 571897865 /nfs/dbraw/zinc/89/78/65/571897865.db2.gz ROHKHNFASJJINM-LLVKDONJSA-N 0 3 181.279 2.183 10 30 AEEEHN C=C(Cl)CN[C@@H](C)C(C)(C)OC 300765208 571899155 /nfs/dbraw/zinc/89/91/55/571899155.db2.gz OGIHJIKWEXCRAW-QMMMGPOBSA-N 0 3 191.702 2.142 10 30 AEEEHN C=CC[C@@H](NC)c1ccnn1C(C)C 300767071 571906313 /nfs/dbraw/zinc/90/63/13/571906313.db2.gz OWRUBMHAJAMQBR-SNVBAGLBSA-N 0 3 193.294 2.301 10 30 AEEEHN C=CCN(CC=C)c1ccncc1 113791152 571907965 /nfs/dbraw/zinc/90/79/65/571907965.db2.gz LPEBRLZPLFOWQC-UHFFFAOYSA-N 0 3 174.247 2.260 10 30 AEEEHN C[C@H]1CCCC[C@H]1NC[C@@H](C)C#N 36667570 571917675 /nfs/dbraw/zinc/91/76/75/571917675.db2.gz RATXQASZZOYHBL-GARJFASQSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H]1CCCC[C@@H]1NC[C@@H](C)C#N 36667568 571918100 /nfs/dbraw/zinc/91/81/00/571918100.db2.gz RATXQASZZOYHBL-DCAQKATOSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H]1CCC[C@H](NCCC#N)[C@@H]1C 36723362 571920416 /nfs/dbraw/zinc/92/04/16/571920416.db2.gz WGVKSWMAJDKYSB-AXFHLTTASA-N 0 3 180.295 2.314 10 30 AEEEHN CCO[C@@H](C)CNCC#CC(C)(C)C 300776553 571922034 /nfs/dbraw/zinc/92/20/34/571922034.db2.gz QSIKUAVBFORSCG-NSHDSACASA-N 0 3 197.322 2.051 10 30 AEEEHN CCO[C@H](C)CNCC#CC(C)(C)C 300776552 571922400 /nfs/dbraw/zinc/92/24/00/571922400.db2.gz QSIKUAVBFORSCG-LLVKDONJSA-N 0 3 197.322 2.051 10 30 AEEEHN CCN1CCCC[C@H]1/C=C/CC=O 687680049 571922688 /nfs/dbraw/zinc/92/26/88/571922688.db2.gz ZBMLCEFTGMQRHW-VUQUXZKVSA-N 0 3 181.279 2.006 10 30 AEEEHN CC(C)N1CCC[C@H]1/C=C/CC=O 687680045 571923405 /nfs/dbraw/zinc/92/34/05/571923405.db2.gz WHFUCNADJWHOAD-ZXCPCRMDSA-N 0 3 181.279 2.004 10 30 AEEEHN O=CC/C=C\CN1CCCCCC1 687680086 571923546 /nfs/dbraw/zinc/92/35/46/571923546.db2.gz AHOYLEXOWCNBJA-UTCJRWHESA-N 0 3 181.279 2.008 10 30 AEEEHN CCN1CCCC[C@@H]1/C=C/CC=O 687680048 571923809 /nfs/dbraw/zinc/92/38/09/571923809.db2.gz ZBMLCEFTGMQRHW-SOZJPDODSA-N 0 3 181.279 2.006 10 30 AEEEHN CCC[C@H](N)C(=O)CC#CC(C)(C)C 300782306 571925990 /nfs/dbraw/zinc/92/59/90/571925990.db2.gz RTCXFHFLJHETQM-JTQLQIEISA-N 0 3 195.306 2.123 10 30 AEEEHN CCC[C@@H](N)C(=O)CC#CC(C)(C)C 300782309 571926849 /nfs/dbraw/zinc/92/68/49/571926849.db2.gz RTCXFHFLJHETQM-SNVBAGLBSA-N 0 3 195.306 2.123 10 30 AEEEHN CC(C)N1CCCC[C@@H]1/C=C/CC=O 687681860 571928458 /nfs/dbraw/zinc/92/84/58/571928458.db2.gz JNIIEOQWUTURQS-WNPFHQFXSA-N 0 3 195.306 2.395 10 30 AEEEHN CC(C)N1CCCC[C@H]1/C=C/CC=O 687681859 571931464 /nfs/dbraw/zinc/93/14/64/571931464.db2.gz JNIIEOQWUTURQS-GXWOQWCDSA-N 0 3 195.306 2.395 10 30 AEEEHN C=C(Cl)CNCC[C@H](C)SC 217320428 571931853 /nfs/dbraw/zinc/93/18/53/571931853.db2.gz AJLZMUWVDABIPS-QMMMGPOBSA-N 0 3 193.743 2.470 10 30 AEEEHN C=C(Cl)CNCC[C@@H](C)SC 217320426 571933969 /nfs/dbraw/zinc/93/39/69/571933969.db2.gz AJLZMUWVDABIPS-MRVPVSSYSA-N 0 3 193.743 2.470 10 30 AEEEHN CS[C@H](C)CNCC#CC(C)(C)C 300802890 571936904 /nfs/dbraw/zinc/93/69/04/571936904.db2.gz VUTZIYZUNBVSDK-SNVBAGLBSA-N 0 3 199.363 2.377 10 30 AEEEHN CS[C@@H](C)CNCC#CC(C)(C)C 300802886 571937969 /nfs/dbraw/zinc/93/79/69/571937969.db2.gz VUTZIYZUNBVSDK-JTQLQIEISA-N 0 3 199.363 2.377 10 30 AEEEHN C=C[C@@H](NC)c1ccoc1CC 234288716 571939047 /nfs/dbraw/zinc/93/90/47/571939047.db2.gz VQYITPODPXBQFN-SECBINFHSA-N 0 3 165.236 2.289 10 30 AEEEHN CC#CC[C@@H](N)c1ccoc1CC 234283157 571939436 /nfs/dbraw/zinc/93/94/36/571939436.db2.gz BVENOYJKBAEHNR-SNVBAGLBSA-N 0 3 177.247 2.255 10 30 AEEEHN C=C(C)[C@@H](N)c1ccoc1CC 234282940 571940075 /nfs/dbraw/zinc/94/00/75/571940075.db2.gz HPGFTBVOQPQYGL-SNVBAGLBSA-N 0 3 165.236 2.418 10 30 AEEEHN CCC(C#N)C(=O)[C@H]1CC1(C)C 233972355 571940529 /nfs/dbraw/zinc/94/05/29/571940529.db2.gz RIWDYYWNUNHAJD-HTQZYQBOSA-N 0 3 165.236 2.151 10 30 AEEEHN C=C(Cl)CNCCCCCOC 234767371 571942123 /nfs/dbraw/zinc/94/21/23/571942123.db2.gz ZQQMISASSHIHRD-UHFFFAOYSA-N 0 3 191.702 2.145 10 30 AEEEHN CC(C)[C@H](N)C#Cc1ccccc1F 300870208 571942596 /nfs/dbraw/zinc/94/25/96/571942596.db2.gz HLLZAVKHBCBYIQ-GFCCVEGCSA-N 0 3 191.249 2.161 10 30 AEEEHN CC[C@H]1C[C@@H]1NCC#CC(C)(C)C 300806483 571942746 /nfs/dbraw/zinc/94/27/46/571942746.db2.gz WNLNLLVJRJLQDC-QWRGUYRKSA-N 0 3 179.307 2.424 10 30 AEEEHN CC(C)C[C@@H](N)C(=O)C1=CCCCC1 232597797 571943931 /nfs/dbraw/zinc/94/39/31/571943931.db2.gz UYHJSYUNJGBTKU-LLVKDONJSA-N 0 3 195.306 2.429 10 30 AEEEHN C=CCN[C@@H](C)c1ccc(O)cc1F 235515882 571944106 /nfs/dbraw/zinc/94/41/06/571944106.db2.gz SNBIPELCZYDXBF-QMMMGPOBSA-N 0 3 195.237 2.368 10 30 AEEEHN CN(C)C#CC1CCCCC1 196406979 571946591 /nfs/dbraw/zinc/94/65/91/571946591.db2.gz VTXJEJPONYWPKP-UHFFFAOYSA-N 0 3 151.253 2.089 10 30 AEEEHN CC(C)[C@@H](N)C#Cc1ccccc1F 300870210 571947047 /nfs/dbraw/zinc/94/70/47/571947047.db2.gz HLLZAVKHBCBYIQ-LBPRGKRZSA-N 0 3 191.249 2.161 10 30 AEEEHN C#C[C@@H](NCc1ccccc1)C(C)C 300864328 571957767 /nfs/dbraw/zinc/95/77/67/571957767.db2.gz GVOSDQMIWJEUMB-CYBMUJFWSA-N 0 3 187.286 2.434 10 30 AEEEHN CN(C)C=Nc1ccc(F)c(F)c1 308502638 571958410 /nfs/dbraw/zinc/95/84/10/571958410.db2.gz XRWJDHBMQMEUOH-UHFFFAOYSA-N 0 3 184.189 2.186 10 30 AEEEHN C[C@@H]1CCN([C@@H]2CCC[C@@H]2C#N)C1 40718224 571959825 /nfs/dbraw/zinc/95/98/25/571959825.db2.gz RIUIYMKZOAQLTH-GMTAPVOTSA-N 0 3 178.279 2.020 10 30 AEEEHN CC(C)[C@H](C)CNC[C@@H](C)C#N 81057521 571973476 /nfs/dbraw/zinc/97/34/76/571973476.db2.gz RXNLQPYSFPUQKA-VHSXEESVSA-N 0 3 168.284 2.028 10 30 AEEEHN CC(C)C(C#N)C(=O)c1ccco1 41045670 571967139 /nfs/dbraw/zinc/96/71/39/571967139.db2.gz IBPNBNAJJZWREJ-QMMMGPOBSA-N 0 3 177.203 2.258 10 30 AEEEHN CC(C)C(C#N)C(=O)c1ccco1 41045669 571969360 /nfs/dbraw/zinc/96/93/60/571969360.db2.gz IBPNBNAJJZWREJ-MRVPVSSYSA-N 0 3 177.203 2.258 10 30 AEEEHN C#C[C@@](C)(N)c1ccc(C)c(C)c1 687693997 571970681 /nfs/dbraw/zinc/97/06/81/571970681.db2.gz JMJPRFZUSRRJSS-GFCCVEGCSA-N 0 3 173.259 2.111 10 30 AEEEHN CC(C)[C@H](C)CN[C@@H](C)CC#N 81054582 571970941 /nfs/dbraw/zinc/97/09/41/571970941.db2.gz MVKRHWIYMVPJFG-ZJUUUORDSA-N 0 3 168.284 2.170 10 30 AEEEHN C#C[C@@](C)(N)c1ccc(Cl)cc1 687694052 571972041 /nfs/dbraw/zinc/97/20/41/571972041.db2.gz XQQJLLDOMHLPQS-SNVBAGLBSA-N 0 3 179.650 2.147 10 30 AEEEHN C=C[C@H](C)Oc1ccc(F)cc1CN 235539238 571972449 /nfs/dbraw/zinc/97/24/49/571972449.db2.gz FXSNMGFGOAQOCU-QMMMGPOBSA-N 0 3 195.237 2.238 10 30 AEEEHN C#C[C@](C)(N)c1ccc(CC)cc1 687694066 571973142 /nfs/dbraw/zinc/97/31/42/571973142.db2.gz ZAEHNHMPPXZRMS-LBPRGKRZSA-N 0 3 173.259 2.056 10 30 AEEEHN C#C[C@](C)(N)c1ccc(Cl)cc1 687694051 571973274 /nfs/dbraw/zinc/97/32/74/571973274.db2.gz XQQJLLDOMHLPQS-JTQLQIEISA-N 0 3 179.650 2.147 10 30 AEEEHN C#C[C@@](C)(N)c1ccc(CC)cc1 687694065 571973344 /nfs/dbraw/zinc/97/33/44/571973344.db2.gz ZAEHNHMPPXZRMS-GFCCVEGCSA-N 0 3 173.259 2.056 10 30 AEEEHN CC(C)[C@H](C)CNC[C@H](C)C#N 81057529 571974096 /nfs/dbraw/zinc/97/40/96/571974096.db2.gz RXNLQPYSFPUQKA-NXEZZACHSA-N 0 3 168.284 2.028 10 30 AEEEHN CC(C)[C@@H](C)CNC[C@@H](C)C#N 81057515 571974650 /nfs/dbraw/zinc/97/46/50/571974650.db2.gz RXNLQPYSFPUQKA-UWVGGRQHSA-N 0 3 168.284 2.028 10 30 AEEEHN CC(C)[C@@H](C)CNC[C@H](C)C#N 81057526 571975222 /nfs/dbraw/zinc/97/52/22/571975222.db2.gz RXNLQPYSFPUQKA-ZJUUUORDSA-N 0 3 168.284 2.028 10 30 AEEEHN CC#C[C@@](C)(N)c1cccc(F)c1 687694757 571976837 /nfs/dbraw/zinc/97/68/37/571976837.db2.gz DHOGDBOEKKBSSD-LLVKDONJSA-N 0 3 177.222 2.023 10 30 AEEEHN CC#C[C@](C)(N)c1ccccc1C 687694841 571976912 /nfs/dbraw/zinc/97/69/12/571976912.db2.gz JZUDBNJKNSUIRX-LBPRGKRZSA-N 0 3 173.259 2.192 10 30 AEEEHN C#C[C@@H](NCCC(F)(F)F)C(C)C 300838721 571978462 /nfs/dbraw/zinc/97/84/62/571978462.db2.gz CYEFCDDHGQDFDF-MRVPVSSYSA-N 0 3 193.212 2.186 10 30 AEEEHN CC#C[C@](C)(N)c1cccc(C)c1 687694920 571980451 /nfs/dbraw/zinc/98/04/51/571980451.db2.gz QMRFFPBDNPVENV-LBPRGKRZSA-N 0 3 173.259 2.192 10 30 AEEEHN C=C[C@@H](NC)c1ccc(C)cc1OC 234480431 571982346 /nfs/dbraw/zinc/98/23/46/571982346.db2.gz JLAPTPOEBOJEBK-LLVKDONJSA-N 0 3 191.274 2.450 10 30 AEEEHN C#C[C@H](NCCC(F)(F)F)C(C)C 300839329 571982329 /nfs/dbraw/zinc/98/23/29/571982329.db2.gz CYEFCDDHGQDFDF-QMMMGPOBSA-N 0 3 193.212 2.186 10 30 AEEEHN C[C@H]1CC[C@@H](C#N)[C@H](N2CCCC2)C1 37145596 571983041 /nfs/dbraw/zinc/98/30/41/571983041.db2.gz UTOHBPDLBWDMGU-SDDRHHMPSA-N 0 3 192.306 2.411 10 30 AEEEHN C=C(C)CC[C@H](N)c1cc(C)n(C)n1 300845476 571983451 /nfs/dbraw/zinc/98/34/51/571983451.db2.gz HEDGNTLJKPSYAH-JTQLQIEISA-N 0 3 193.294 2.085 10 30 AEEEHN C#C[C@H](NC/C(C)=C/Cl)C(C)C 300846957 571984292 /nfs/dbraw/zinc/98/42/92/571984292.db2.gz DVNYWZIXGCHCDL-ZKXNXJMVSA-N 0 3 185.698 2.376 10 30 AEEEHN C=C(C)CC[C@@H](N)c1cc(C)n(C)n1 300845485 571984460 /nfs/dbraw/zinc/98/44/60/571984460.db2.gz HEDGNTLJKPSYAH-SNVBAGLBSA-N 0 3 193.294 2.085 10 30 AEEEHN C[C@H](NCCC#N)[C@@H]1C[C@H]2C=C[C@@H]1C2 687768309 571986076 /nfs/dbraw/zinc/98/60/76/571986076.db2.gz OSQJIZIQKDUYLL-YFKTTZPYSA-N 0 3 190.290 2.090 10 30 AEEEHN C[C@@H](NCCC#N)[C@@H]1C[C@H]2C=C[C@@H]1C2 687768306 571986433 /nfs/dbraw/zinc/98/64/33/571986433.db2.gz OSQJIZIQKDUYLL-KXNHARMFSA-N 0 3 190.290 2.090 10 30 AEEEHN C[C@@H](NCCC#N)[C@H]1C[C@H]2C=C[C@@H]1C2 687768308 571988095 /nfs/dbraw/zinc/98/80/95/571988095.db2.gz OSQJIZIQKDUYLL-WRWGMCAJSA-N 0 3 190.290 2.090 10 30 AEEEHN CCNCc1cc(C#N)ccc1Cl 233530900 571989612 /nfs/dbraw/zinc/98/96/12/571989612.db2.gz PJEYUJKUCJBEQI-UHFFFAOYSA-N 0 3 194.665 2.321 10 30 AEEEHN C#C[C@@H](NCCOCCCC)C(C)C 300878069 571997486 /nfs/dbraw/zinc/99/74/86/571997486.db2.gz IMBRIYZEJYLXAV-GFCCVEGCSA-N 0 3 197.322 2.051 10 30 AEEEHN N#CCCNCCC(C1CC1)C1CC1 400797557 572000409 /nfs/dbraw/zinc/00/04/09/572000409.db2.gz KLPYMQWFCCXLPP-UHFFFAOYSA-N 0 3 192.306 2.316 10 30 AEEEHN CCCN1CCC/C(=C/C(C)=O)CC1 228125575 572005095 /nfs/dbraw/zinc/00/50/95/572005095.db2.gz SUYKEZDIIJFEQL-BENRWUELSA-N 0 3 195.306 2.398 10 30 AEEEHN CC[C@@H](CC#N)N(CC)CC1CC1 68946948 572007217 /nfs/dbraw/zinc/00/72/17/572007217.db2.gz BJAMGKBHUOTYNM-NSHDSACASA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@H](CC#N)N(CC)CC1CC1 68946950 572007738 /nfs/dbraw/zinc/00/77/38/572007738.db2.gz BJAMGKBHUOTYNM-LLVKDONJSA-N 0 3 180.295 2.411 10 30 AEEEHN C#CC[C@@H](N)c1nccc2ccccc12 68958958 572010461 /nfs/dbraw/zinc/01/04/61/572010461.db2.gz CINZPXCDXKETBC-GFCCVEGCSA-N 0 3 196.253 2.258 10 30 AEEEHN CC(C#N)C(=O)CC[C@@H]1CCCCO1 68991812 572013213 /nfs/dbraw/zinc/01/32/13/572013213.db2.gz PMFLFSBMSITFCM-ZJUUUORDSA-N 0 3 195.262 2.064 10 30 AEEEHN CC(C#N)C(=O)CC[C@H]1CCCCO1 68991822 572013529 /nfs/dbraw/zinc/01/35/29/572013529.db2.gz PMFLFSBMSITFCM-NXEZZACHSA-N 0 3 195.262 2.064 10 30 AEEEHN CC(C#N)C(=O)CC[C@@H]1CCCCO1 68991808 572013696 /nfs/dbraw/zinc/01/36/96/572013696.db2.gz PMFLFSBMSITFCM-UWVGGRQHSA-N 0 3 195.262 2.064 10 30 AEEEHN CC(C#N)C(=O)CC[C@H]1CCCCO1 68991815 572013825 /nfs/dbraw/zinc/01/38/25/572013825.db2.gz PMFLFSBMSITFCM-VHSXEESVSA-N 0 3 195.262 2.064 10 30 AEEEHN CNC(C)(C)C(=O)C1=CCCCC1 234369574 572014064 /nfs/dbraw/zinc/01/40/64/572014064.db2.gz BJNRBKAECLQLHK-UHFFFAOYSA-N 0 3 181.279 2.054 10 30 AEEEHN CNC(C)(C)C(=O)C1=CCCCCC1 234369587 572014337 /nfs/dbraw/zinc/01/43/37/572014337.db2.gz XDBLRGJELAWKRY-UHFFFAOYSA-N 0 3 195.306 2.444 10 30 AEEEHN CCC(C)(C)N(C)[C@H](C)CC#N 68997903 572017594 /nfs/dbraw/zinc/01/75/94/572017594.db2.gz GLMVGTHONWEXMR-SECBINFHSA-N 0 3 168.284 2.409 10 30 AEEEHN C[C@H](C#N)CNC[C@@H]1CC[C@H](C)C1 300239591 572017862 /nfs/dbraw/zinc/01/78/62/572017862.db2.gz ARBYAEYWLDUSPN-HBNTYKKESA-N 0 3 180.295 2.172 10 30 AEEEHN CCC(C)(C)N(C)[C@@H](C)CC#N 68997901 572018014 /nfs/dbraw/zinc/01/80/14/572018014.db2.gz GLMVGTHONWEXMR-VIFPVBQESA-N 0 3 168.284 2.409 10 30 AEEEHN CCC(C)(C)CN1CCCC[C@@H]1C=O 713198435 572018709 /nfs/dbraw/zinc/01/87/09/572018709.db2.gz DHKBMFGZFAWWPY-LLVKDONJSA-N 0 3 197.322 2.476 10 30 AEEEHN N#CCCCCN1CCC[C@@H]1CF 393456867 572019380 /nfs/dbraw/zinc/01/93/80/572019380.db2.gz JMXQZYLIOXQJPZ-SNVBAGLBSA-N 0 3 184.258 2.114 10 30 AEEEHN CCC(C)(C)CN1CCCC[C@H]1C=O 713198436 572019625 /nfs/dbraw/zinc/01/96/25/572019625.db2.gz DHKBMFGZFAWWPY-NSHDSACASA-N 0 3 197.322 2.476 10 30 AEEEHN CCC(C)(C)N(C)C[C@H](C)C#N 68997986 572020133 /nfs/dbraw/zinc/02/01/33/572020133.db2.gz SOCRKGWWPJPYCD-SECBINFHSA-N 0 3 168.284 2.266 10 30 AEEEHN CC#C[C@](C)(N)c1ccc(C)cc1 687774381 572020927 /nfs/dbraw/zinc/02/09/27/572020927.db2.gz YUHMKDBMIGNYFJ-LBPRGKRZSA-N 0 3 173.259 2.192 10 30 AEEEHN CC#C[C@@](C)(N)c1ccc(C)cc1 687774380 572021383 /nfs/dbraw/zinc/02/13/83/572021383.db2.gz YUHMKDBMIGNYFJ-GFCCVEGCSA-N 0 3 173.259 2.192 10 30 AEEEHN CC#C[C@](C)(N)c1ccc(CC)cc1 687774325 572021888 /nfs/dbraw/zinc/02/18/88/572021888.db2.gz BTEUZXCNRIIFHF-ZDUSSCGKSA-N 0 3 187.286 2.446 10 30 AEEEHN C[C@H](C#N)CNC[C@H]1CCC[C@H]1C 300244278 572025673 /nfs/dbraw/zinc/02/56/73/572025673.db2.gz WXTUZFYEBLLYAT-GMTAPVOTSA-N 0 3 180.295 2.172 10 30 AEEEHN C[C@H](C#N)CNC[C@@H]1CCC[C@H]1C 300244279 572025904 /nfs/dbraw/zinc/02/59/04/572025904.db2.gz WXTUZFYEBLLYAT-MXWKQRLJSA-N 0 3 180.295 2.172 10 30 AEEEHN C=CCOc1ccc(C)cc1CN 82426840 572026392 /nfs/dbraw/zinc/02/63/92/572026392.db2.gz QMNDQTYDJOPCPE-UHFFFAOYSA-N 0 3 177.247 2.019 10 30 AEEEHN C#CC[C@H](NCC)c1cccc(C)n1 82451734 572029957 /nfs/dbraw/zinc/02/99/57/572029957.db2.gz XVGAFCXXEUUJAC-NSHDSACASA-N 0 3 188.274 2.064 10 30 AEEEHN C=CC[C@H](NC)c1cccc(C)n1 82451676 572030233 /nfs/dbraw/zinc/03/02/33/572030233.db2.gz QQKOOBYMMAMGMG-JTQLQIEISA-N 0 3 176.263 2.227 10 30 AEEEHN C#CC[C@@H](NCC)c1cccc(C)n1 82451736 572030950 /nfs/dbraw/zinc/03/09/50/572030950.db2.gz XVGAFCXXEUUJAC-LLVKDONJSA-N 0 3 188.274 2.064 10 30 AEEEHN CSC1CCC(NCCC#N)CC1 235021995 572031369 /nfs/dbraw/zinc/03/13/69/572031369.db2.gz DRLFLYPFGIPKDF-UHFFFAOYSA-N 0 3 198.335 2.164 10 30 AEEEHN C#CCC[C@H](NCC)c1ccco1 82498563 572032013 /nfs/dbraw/zinc/03/20/13/572032013.db2.gz WMAAARJTNVZRPA-JTQLQIEISA-N 0 3 177.247 2.344 10 30 AEEEHN C#CCC[C@@H](N)c1ccccc1OC 82497588 572032147 /nfs/dbraw/zinc/03/21/47/572032147.db2.gz XOHASKQTFDILOE-LLVKDONJSA-N 0 3 189.258 2.108 10 30 AEEEHN C#CCC[C@@H](NCC)c1ccccn1 82497861 572032361 /nfs/dbraw/zinc/03/23/61/572032361.db2.gz DBILJXSKVNWEQV-LLVKDONJSA-N 0 3 188.274 2.146 10 30 AEEEHN C#CCC[C@H](N)c1ccccc1OC 82497591 572032524 /nfs/dbraw/zinc/03/25/24/572032524.db2.gz XOHASKQTFDILOE-NSHDSACASA-N 0 3 189.258 2.108 10 30 AEEEHN C#CCC[C@H](NC)c1cccc(C)n1 82498784 572032967 /nfs/dbraw/zinc/03/29/67/572032967.db2.gz KOLOXXFPOLUXPS-NSHDSACASA-N 0 3 188.274 2.064 10 30 AEEEHN C#CCC[C@H](NC)c1ccccc1F 82498710 572033067 /nfs/dbraw/zinc/03/30/67/572033067.db2.gz NEIKOCAVJCWKDJ-LBPRGKRZSA-N 0 3 191.249 2.500 10 30 AEEEHN C#CCC[C@@H](NC)c1ncccc1C 82498334 572033072 /nfs/dbraw/zinc/03/30/72/572033072.db2.gz ZQLBUEADAVRPNZ-LLVKDONJSA-N 0 3 188.274 2.064 10 30 AEEEHN C#CCC[C@H](NC)c1ncccc1C 82498337 572033211 /nfs/dbraw/zinc/03/32/11/572033211.db2.gz ZQLBUEADAVRPNZ-NSHDSACASA-N 0 3 188.274 2.064 10 30 AEEEHN C#CCC[C@@H](NC)c1cccc(C)n1 82498782 572033301 /nfs/dbraw/zinc/03/33/01/572033301.db2.gz KOLOXXFPOLUXPS-LLVKDONJSA-N 0 3 188.274 2.064 10 30 AEEEHN C#CCC[C@H](NCC)c1ccccn1 82497860 572033364 /nfs/dbraw/zinc/03/33/64/572033364.db2.gz DBILJXSKVNWEQV-NSHDSACASA-N 0 3 188.274 2.146 10 30 AEEEHN C#CCC[C@@H](NCC)c1ccco1 82498566 572033470 /nfs/dbraw/zinc/03/34/70/572033470.db2.gz WMAAARJTNVZRPA-SNVBAGLBSA-N 0 3 177.247 2.344 10 30 AEEEHN C=CCNCc1ccc(C)c(F)c1 82503251 572035412 /nfs/dbraw/zinc/03/54/12/572035412.db2.gz NEDVXBUAHBHYNQ-UHFFFAOYSA-N 0 3 179.238 2.410 10 30 AEEEHN C=CCC[C@H](N)c1cnc(C)s1 235837619 572035789 /nfs/dbraw/zinc/03/57/89/572035789.db2.gz OHVAZBWMBUPHRP-QMMMGPOBSA-N 0 3 182.292 2.418 10 30 AEEEHN C#CCCC[C@H](N)c1cnc(C)s1 235837669 572036952 /nfs/dbraw/zinc/03/69/52/572036952.db2.gz XYRIHLFZSOZVSP-VIFPVBQESA-N 0 3 194.303 2.255 10 30 AEEEHN C[NH2+][C@H](C)[C@H]([S-])c1ccccc1 33854199 572040676 /nfs/dbraw/zinc/04/06/76/572040676.db2.gz QTTCJJGIROEAEK-SCZZXKLOSA-N 0 3 181.304 2.265 10 30 AEEEHN C=C(C)CCC(=O)[C@H]1CCCCCN1 229112931 572041202 /nfs/dbraw/zinc/04/12/02/572041202.db2.gz PCRIVVOYDNAXGJ-LLVKDONJSA-N 0 3 195.306 2.444 10 30 AEEEHN C=CCC[C@@H](N)c1cnc(C)s1 235839254 572045518 /nfs/dbraw/zinc/04/55/18/572045518.db2.gz OHVAZBWMBUPHRP-MRVPVSSYSA-N 0 3 182.292 2.418 10 30 AEEEHN C=CCNCc1ccc(C#N)cc1C 229135441 572046641 /nfs/dbraw/zinc/04/66/41/572046641.db2.gz MJZMPRHLDSEGQG-UHFFFAOYSA-N 0 3 186.258 2.142 10 30 AEEEHN CS[C@@H]1CCC[C@H]1N[C@@H](C)CC#N 235064337 572047974 /nfs/dbraw/zinc/04/79/74/572047974.db2.gz RWUZOUBXQIWHHY-IVZWLZJFSA-N 0 3 198.335 2.162 10 30 AEEEHN CC[C@H](CC#N)N(CC)CC 36677369 572059701 /nfs/dbraw/zinc/05/97/01/572059701.db2.gz SIRXGRZGPRMFDW-SECBINFHSA-N 0 3 154.257 2.020 10 30 AEEEHN CC[C@H](CC#N)NC[C@H]1CC1(C)C 234039823 572050791 /nfs/dbraw/zinc/05/07/91/572050791.db2.gz VQNOBYSEOYFZFJ-NXEZZACHSA-N 0 3 180.295 2.314 10 30 AEEEHN CS[C@@H]1CCCC[C@@H]1NCCC#N 235087992 572054412 /nfs/dbraw/zinc/05/44/12/572054412.db2.gz FAFQKWNCMYJDGF-VHSXEESVSA-N 0 3 198.335 2.164 10 30 AEEEHN N#CC(C=O)Cc1cccc(Cl)c1 34116003 572057275 /nfs/dbraw/zinc/05/72/75/572057275.db2.gz DWHMVXWXSUEYKD-SECBINFHSA-N 0 3 193.633 2.221 10 30 AEEEHN N#CC(C=O)Cc1cccc(Cl)c1 34116004 572057680 /nfs/dbraw/zinc/05/76/80/572057680.db2.gz DWHMVXWXSUEYKD-VIFPVBQESA-N 0 3 193.633 2.221 10 30 AEEEHN CCCCN(C)[C@H](CC)CC#N 36677389 572059086 /nfs/dbraw/zinc/05/90/86/572059086.db2.gz ZSBULWYGMSIAAP-SNVBAGLBSA-N 0 3 168.284 2.411 10 30 AEEEHN CC(C)C[C@@H]1CCC(C#N)C1=O 196448191 572059228 /nfs/dbraw/zinc/05/92/28/572059228.db2.gz UNHFUMWZVWCLGN-DTWKUNHWSA-N 0 3 165.236 2.151 10 30 AEEEHN CC(C)C[C@H]1CCC(C#N)C1=O 196448199 572059525 /nfs/dbraw/zinc/05/95/25/572059525.db2.gz UNHFUMWZVWCLGN-RKDXNWHRSA-N 0 3 165.236 2.151 10 30 AEEEHN CC(C)C[C@@H]1CCC(C#N)C1=O 196448216 572059655 /nfs/dbraw/zinc/05/96/55/572059655.db2.gz UNHFUMWZVWCLGN-IUCAKERBSA-N 0 3 165.236 2.151 10 30 AEEEHN CCCCN(C)[C@@H](CC)CC#N 36677388 572060407 /nfs/dbraw/zinc/06/04/07/572060407.db2.gz ZSBULWYGMSIAAP-JTQLQIEISA-N 0 3 168.284 2.411 10 30 AEEEHN CC(C)C[C@H]1CCC(C#N)C1=O 196448224 572060503 /nfs/dbraw/zinc/06/05/03/572060503.db2.gz UNHFUMWZVWCLGN-BDAKNGLRSA-N 0 3 165.236 2.151 10 30 AEEEHN CC[C@@H](CC#N)N(C)[C@@H](C)C1CC1 36785386 572065105 /nfs/dbraw/zinc/06/51/05/572065105.db2.gz UIUIFITUUGUDJT-ONGXEEELSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H](CC#N)N(C)C[C@@H]1C[C@@H]1C 82648568 572066289 /nfs/dbraw/zinc/06/62/89/572066289.db2.gz LSURVTLCFQHQCC-GARJFASQSA-N 0 3 180.295 2.266 10 30 AEEEHN CC[C@H](CC#N)N(C)[C@@H](C)C1CC1 36785387 572066283 /nfs/dbraw/zinc/06/62/83/572066283.db2.gz UIUIFITUUGUDJT-GXSJLCMTSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H]1C[C@H]1CN(C)[C@@H]1CCC[C@@H]1C#N 82648573 572066679 /nfs/dbraw/zinc/06/66/79/572066679.db2.gz NWOXMUZICPOQAB-WISYIIOYSA-N 0 3 192.306 2.266 10 30 AEEEHN CCC(CC)N(C)C[C@H](C)C#N 36789103 572066784 /nfs/dbraw/zinc/06/67/84/572066784.db2.gz YOQJETCMUMAJAV-SECBINFHSA-N 0 3 168.284 2.266 10 30 AEEEHN C[C@H]1C[C@H]1CN(C)[C@@H]1CCC[C@@H]1C#N 82648574 572067956 /nfs/dbraw/zinc/06/79/56/572067956.db2.gz NWOXMUZICPOQAB-WHOHXGKFSA-N 0 3 192.306 2.266 10 30 AEEEHN CSC1(CNCCC#N)CCCC1 235102383 572068775 /nfs/dbraw/zinc/06/87/75/572068775.db2.gz RXZRVOMWEUATNS-UHFFFAOYSA-N 0 3 198.335 2.165 10 30 AEEEHN C=CCCC/C=C/CN(CC)CCO 113583710 572068926 /nfs/dbraw/zinc/06/89/26/572068926.db2.gz RPWMCJXSCHWXKX-CMDGGOBGSA-N 0 3 197.322 2.213 10 30 AEEEHN CC[C@@H](CC#N)N(C)C[C@@H]1C[C@@H]1C 82648567 572068945 /nfs/dbraw/zinc/06/89/45/572068945.db2.gz LSURVTLCFQHQCC-DCAQKATOSA-N 0 3 180.295 2.266 10 30 AEEEHN C=CCCC/C=C\CN(CC)CCO 113583707 572069503 /nfs/dbraw/zinc/06/95/03/572069503.db2.gz RPWMCJXSCHWXKX-HJWRWDBZSA-N 0 3 197.322 2.213 10 30 AEEEHN C[C@H](CC#N)NCC1(C)CCCC1 82625390 572073770 /nfs/dbraw/zinc/07/37/70/572073770.db2.gz FEQOIXMCPAOPJJ-SNVBAGLBSA-N 0 3 180.295 2.458 10 30 AEEEHN C[C@@H](CC#N)NCC1(C)CCCC1 82625389 572073996 /nfs/dbraw/zinc/07/39/96/572073996.db2.gz FEQOIXMCPAOPJJ-JTQLQIEISA-N 0 3 180.295 2.458 10 30 AEEEHN C[C@H](C#N)CNCC1(C)CCCC1 82625503 572074296 /nfs/dbraw/zinc/07/42/96/572074296.db2.gz RZXSQMBZNJVXNQ-SNVBAGLBSA-N 0 3 180.295 2.316 10 30 AEEEHN C[C@@H](C#N)CNCC1(C)CCCC1 82625504 572074355 /nfs/dbraw/zinc/07/43/55/572074355.db2.gz RZXSQMBZNJVXNQ-JTQLQIEISA-N 0 3 180.295 2.316 10 30 AEEEHN CCC(CC)[C@H](C)NC(=O)C(C)C#N 82633123 572075988 /nfs/dbraw/zinc/07/59/88/572075988.db2.gz UQYKPIWIVLQJNE-IUCAKERBSA-N 0 3 196.294 2.087 10 30 AEEEHN CCC(CC)[C@@H](C)NCCC#N 82632584 572076003 /nfs/dbraw/zinc/07/60/03/572076003.db2.gz ZUAVUHUCJBXIBX-SECBINFHSA-N 0 3 168.284 2.314 10 30 AEEEHN CCC(CC)[C@H](C)NCCC#N 82632588 572076299 /nfs/dbraw/zinc/07/62/99/572076299.db2.gz ZUAVUHUCJBXIBX-VIFPVBQESA-N 0 3 168.284 2.314 10 30 AEEEHN CCC(CC)[C@H](C)NC(=O)C(C)C#N 82633126 572076578 /nfs/dbraw/zinc/07/65/78/572076578.db2.gz UQYKPIWIVLQJNE-BDAKNGLRSA-N 0 3 196.294 2.087 10 30 AEEEHN CCC(CC)[C@@H](C)NC(=O)C(C)C#N 82633121 572077389 /nfs/dbraw/zinc/07/73/89/572077389.db2.gz UQYKPIWIVLQJNE-DTWKUNHWSA-N 0 3 196.294 2.087 10 30 AEEEHN C=CCOc1ccc(F)cc1CNC 234392370 572078094 /nfs/dbraw/zinc/07/80/94/572078094.db2.gz SFRYFPBTOKCRCK-UHFFFAOYSA-N 0 3 195.237 2.110 10 30 AEEEHN CCC(CC)[C@@H](C)NC(=O)C(C)C#N 82633124 572077595 /nfs/dbraw/zinc/07/75/95/572077595.db2.gz UQYKPIWIVLQJNE-RKDXNWHRSA-N 0 3 196.294 2.087 10 30 AEEEHN C#CC[C@H](NCC)c1cc(C)ccn1 82643792 572078277 /nfs/dbraw/zinc/07/82/77/572078277.db2.gz FPMIMPCGNHDJDP-NSHDSACASA-N 0 3 188.274 2.064 10 30 AEEEHN C#CCC[C@@H](NC)c1cc(C)ccn1 82643748 572078584 /nfs/dbraw/zinc/07/85/84/572078584.db2.gz NNRDRMCJZIFZIG-LLVKDONJSA-N 0 3 188.274 2.064 10 30 AEEEHN C=CC[C@H](NC)c1cc(C)ccn1 82643753 572079388 /nfs/dbraw/zinc/07/93/88/572079388.db2.gz LLAMYTMTIJOBKZ-JTQLQIEISA-N 0 3 176.263 2.227 10 30 AEEEHN C=CC[C@@H](NC)c1cc(C)ccn1 82643752 572080899 /nfs/dbraw/zinc/08/08/99/572080899.db2.gz LLAMYTMTIJOBKZ-SNVBAGLBSA-N 0 3 176.263 2.227 10 30 AEEEHN CCN(CC)[C@@H]1CCCC/C1=N/O 16890866 572083332 /nfs/dbraw/zinc/08/33/32/572083332.db2.gz YKQFYZZZUIRGKO-QLWWJYNRSA-N 0 3 184.283 2.101 10 30 AEEEHN C=C(CC)C[C@@H](N)c1cc(C)n(C)n1 300931148 572084290 /nfs/dbraw/zinc/08/42/90/572084290.db2.gz QYNIAJMAZKDAMO-SNVBAGLBSA-N 0 3 193.294 2.085 10 30 AEEEHN CC[C@H](CC#N)N(CC)C(C)C 37082231 572084888 /nfs/dbraw/zinc/08/48/88/572084888.db2.gz UOUKMUNOMMPDQD-SNVBAGLBSA-N 0 3 168.284 2.409 10 30 AEEEHN CC[C@@H](CC#N)N(CC)C(C)C 37082230 572086879 /nfs/dbraw/zinc/08/68/79/572086879.db2.gz UOUKMUNOMMPDQD-JTQLQIEISA-N 0 3 168.284 2.409 10 30 AEEEHN CCCN(CC)[C@@H](CC)CC#N 37095026 572088480 /nfs/dbraw/zinc/08/84/80/572088480.db2.gz FLHOYAMAODHXGM-JTQLQIEISA-N 0 3 168.284 2.411 10 30 AEEEHN CCCN(C[C@@H](C)C#N)C(C)C 37096139 572089421 /nfs/dbraw/zinc/08/94/21/572089421.db2.gz IOVLJABEXGZVDQ-JTQLQIEISA-N 0 3 168.284 2.266 10 30 AEEEHN CCCN(C[C@H](C)C#N)C(C)C 37096140 572090448 /nfs/dbraw/zinc/09/04/48/572090448.db2.gz IOVLJABEXGZVDQ-SNVBAGLBSA-N 0 3 168.284 2.266 10 30 AEEEHN CCCN(CC)[C@H](CC)CC#N 37095027 572091290 /nfs/dbraw/zinc/09/12/90/572091290.db2.gz FLHOYAMAODHXGM-SNVBAGLBSA-N 0 3 168.284 2.411 10 30 AEEEHN CS[C@@H]1CC[C@@H](NC[C@@H](C)C#N)C1 235126117 572092566 /nfs/dbraw/zinc/09/25/66/572092566.db2.gz KHJFCCNGBFKUGH-IVZWLZJFSA-N 0 3 198.335 2.020 10 30 AEEEHN C=CCC(C)(C)CNCc1cnoc1 687709635 572094402 /nfs/dbraw/zinc/09/44/02/572094402.db2.gz XVDVUZSOMHWICI-UHFFFAOYSA-N 0 3 194.278 2.367 10 30 AEEEHN CC[C@@H](CC#N)N(C)[C@H](C)CC 37110118 572097543 /nfs/dbraw/zinc/09/75/43/572097543.db2.gz AOQWVCRBXPEQSH-ZJUUUORDSA-N 0 3 168.284 2.409 10 30 AEEEHN CC[C@@H](CC#N)N(C)CC(C)C 37108519 572101608 /nfs/dbraw/zinc/10/16/08/572101608.db2.gz VVTIHVAIFOIIPQ-JTQLQIEISA-N 0 3 168.284 2.266 10 30 AEEEHN C#C[C@@H](NCCC(C)(C)C#N)C(C)C 300937365 572105407 /nfs/dbraw/zinc/10/54/07/572105407.db2.gz OJFLCGZRBDIAGF-LLVKDONJSA-N 0 3 192.306 2.174 10 30 AEEEHN C#C[C@H](NCCC(C)(C)C#N)C(C)C 300937371 572106372 /nfs/dbraw/zinc/10/63/72/572106372.db2.gz OJFLCGZRBDIAGF-NSHDSACASA-N 0 3 192.306 2.174 10 30 AEEEHN CC#CCNCc1ccccc1CC 82774682 572109104 /nfs/dbraw/zinc/10/91/04/572109104.db2.gz DPTCYHMIZQZOKP-UHFFFAOYSA-N 0 3 187.286 2.362 10 30 AEEEHN CC(C#N)[S@](=O)[C@@H]1CCC[C@@H](C)C1 82787887 572111081 /nfs/dbraw/zinc/11/10/81/572111081.db2.gz PDNFTGTVOKIQKQ-BSTOTGJRSA-N 0 3 199.319 2.226 10 30 AEEEHN CCC(C)(C)N[C@@H](C)CC#N 17667766 572110836 /nfs/dbraw/zinc/11/08/36/572110836.db2.gz LCGWHBDFJTXIMK-QMMMGPOBSA-N 0 3 154.257 2.067 10 30 AEEEHN CCC(C)(C)N[C@H](C)CC#N 17667768 572113101 /nfs/dbraw/zinc/11/31/01/572113101.db2.gz LCGWHBDFJTXIMK-MRVPVSSYSA-N 0 3 154.257 2.067 10 30 AEEEHN C=CCCCCCC(=O)[C@@H](C)N 235149329 572120160 /nfs/dbraw/zinc/12/01/60/572120160.db2.gz CLAAXFFXAOCABE-SECBINFHSA-N 0 3 169.268 2.039 10 30 AEEEHN CC[C@@H](C)/N=C/c1ccc[nH]1 17968806 572120288 /nfs/dbraw/zinc/12/02/88/572120288.db2.gz ZGQHWNXPGZRSTI-XAPLUZPNSA-N 0 3 150.225 2.232 10 30 AEEEHN CC[C@H](CC#N)N[C@H]1CCS[C@H]1C 300333286 572121843 /nfs/dbraw/zinc/12/18/43/572121843.db2.gz JGYUYHCUYSZQCI-AEJSXWLSSA-N 0 3 198.335 2.162 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1CCS[C@H]1C 300333287 572123523 /nfs/dbraw/zinc/12/35/23/572123523.db2.gz JGYUYHCUYSZQCI-IVZWLZJFSA-N 0 3 198.335 2.162 10 30 AEEEHN CCC[C@H](C)N1CCCC[C@H]1C=O 300344372 572125067 /nfs/dbraw/zinc/12/50/67/572125067.db2.gz CUMVDXXUDMLWJG-QWRGUYRKSA-N 0 3 183.295 2.228 10 30 AEEEHN CCC[C@@H](C)N1CCCC[C@H]1C=O 300344369 572125600 /nfs/dbraw/zinc/12/56/00/572125600.db2.gz CUMVDXXUDMLWJG-MNOVXSKESA-N 0 3 183.295 2.228 10 30 AEEEHN C=CC[C@@H](NCCC)c1ccncn1 69639883 572128676 /nfs/dbraw/zinc/12/86/76/572128676.db2.gz DULITDXYFZSFCC-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN CCC[C@@H]1C[C@@H]1N[C@@H]1CCC[C@H]1C#N 300358125 572129636 /nfs/dbraw/zinc/12/96/36/572129636.db2.gz BSLJKBDOSDMAEI-KXNHARMFSA-N 0 3 192.306 2.457 10 30 AEEEHN C=CC[C@H](NCCC)c1ccncn1 69639881 572129453 /nfs/dbraw/zinc/12/94/53/572129453.db2.gz DULITDXYFZSFCC-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN CS[C@@H]1CC[C@@H](N[C@H](C)CC#N)C1 300357917 572130185 /nfs/dbraw/zinc/13/01/85/572130185.db2.gz WBTWFCIMTVFAQK-OPRDCNLKSA-N 0 3 198.335 2.162 10 30 AEEEHN CCC[C@@H]1C[C@@H]1N[C@H]1CCC[C@@H]1C#N 300358127 572131169 /nfs/dbraw/zinc/13/11/69/572131169.db2.gz BSLJKBDOSDMAEI-WYUUTHIRSA-N 0 3 192.306 2.457 10 30 AEEEHN CCC[C@@H]1C[C@@H]1N[C@H]1CCC[C@H]1C#N 300358126 572131338 /nfs/dbraw/zinc/13/13/38/572131338.db2.gz BSLJKBDOSDMAEI-RHYQMDGZSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1CC(NCCC#N)C[C@H](C)C1 82829628 572131574 /nfs/dbraw/zinc/13/15/74/572131574.db2.gz YCERLNKEOBUULN-ZACCUICWSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H](CC#N)N[C@H](C)CC1CC1 69665319 572131564 /nfs/dbraw/zinc/13/15/64/572131564.db2.gz KXIMGWSDDNAENY-RKDXNWHRSA-N 0 3 166.268 2.067 10 30 AEEEHN CC[C@@H](CC1CC1)N[C@@H](C)CC#N 69672772 572131764 /nfs/dbraw/zinc/13/17/64/572131764.db2.gz DENCZAOBYMLDCX-ONGXEEELSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CC#N)N[C@H](C)CC1CC1 69665315 572131867 /nfs/dbraw/zinc/13/18/67/572131867.db2.gz KXIMGWSDDNAENY-DTWKUNHWSA-N 0 3 166.268 2.067 10 30 AEEEHN C[C@@H](CC1CC1)N[C@H](C)CC#N 69665313 572131871 /nfs/dbraw/zinc/13/18/71/572131871.db2.gz KXIMGWSDDNAENY-BDAKNGLRSA-N 0 3 166.268 2.067 10 30 AEEEHN CC[C@@H](CC1CC1)N[C@H](C)CC#N 69672779 572131890 /nfs/dbraw/zinc/13/18/90/572131890.db2.gz DENCZAOBYMLDCX-KOLCDFICSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CC1CC1)N[C@H]1CCC[C@@H]1C#N 69665378 572132023 /nfs/dbraw/zinc/13/20/23/572132023.db2.gz OTDQMXUMRAHALJ-WCQGTBRESA-N 0 3 192.306 2.457 10 30 AEEEHN CS[C@@H]1CC[C@H](N[C@H](C)CC#N)C1 300357916 572132196 /nfs/dbraw/zinc/13/21/96/572132196.db2.gz WBTWFCIMTVFAQK-KXUCPTDWSA-N 0 3 198.335 2.162 10 30 AEEEHN C[C@@H](CC1CC1)N[C@@H]1CCC[C@@H]1C#N 69665372 572132260 /nfs/dbraw/zinc/13/22/60/572132260.db2.gz OTDQMXUMRAHALJ-MVWJERBFSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@H](CC1CC1)N[C@@H](C)CC#N 69672775 572132353 /nfs/dbraw/zinc/13/23/53/572132353.db2.gz DENCZAOBYMLDCX-GXSJLCMTSA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@H](CC1CC1)NC[C@@H](C)C#N 69673149 572133683 /nfs/dbraw/zinc/13/36/83/572133683.db2.gz ZTILFHHRBJYETP-GXSJLCMTSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@@H](CC#N)N[C@@H](C)CC1CC1 69665310 572132828 /nfs/dbraw/zinc/13/28/28/572132828.db2.gz KXIMGWSDDNAENY-IUCAKERBSA-N 0 3 166.268 2.067 10 30 AEEEHN C[C@H]1CC[C@H](NCCC#N)C[C@@H]1C 82836118 572132988 /nfs/dbraw/zinc/13/29/88/572132988.db2.gz ZLWMRWKJHKCOLJ-DCAQKATOSA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@@H](CC1CC1)NC[C@@H](C)C#N 69673145 572133443 /nfs/dbraw/zinc/13/34/43/572133443.db2.gz ZTILFHHRBJYETP-ONGXEEELSA-N 0 3 180.295 2.314 10 30 AEEEHN C#CC(C)(C)NCCOCCC(C)C 69681586 572133829 /nfs/dbraw/zinc/13/38/29/572133829.db2.gz RLFXOAGVJNDGES-UHFFFAOYSA-N 0 3 197.322 2.051 10 30 AEEEHN C[C@H]1CC[C@@H](NCCC#N)C[C@@H]1C 82836121 572134016 /nfs/dbraw/zinc/13/40/16/572134016.db2.gz ZLWMRWKJHKCOLJ-GARJFASQSA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@@H](CC1CC1)NC[C@H](C)C#N 69673152 572134068 /nfs/dbraw/zinc/13/40/68/572134068.db2.gz ZTILFHHRBJYETP-KOLCDFICSA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@@H](CC1CC1)NCCC#N 69672931 572134209 /nfs/dbraw/zinc/13/42/09/572134209.db2.gz VZIVQXLCMNTNGK-JTQLQIEISA-N 0 3 166.268 2.068 10 30 AEEEHN CC[C@H](CC1CC1)NCCC#N 69672933 572134283 /nfs/dbraw/zinc/13/42/83/572134283.db2.gz VZIVQXLCMNTNGK-SNVBAGLBSA-N 0 3 166.268 2.068 10 30 AEEEHN CC[C@H](CC1CC1)NC[C@H](C)C#N 69673156 572134299 /nfs/dbraw/zinc/13/42/99/572134299.db2.gz ZTILFHHRBJYETP-MWLCHTKSSA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@H](C)/N=C/c1ccc[nH]1 18179769 572137145 /nfs/dbraw/zinc/13/71/45/572137145.db2.gz ZGQHWNXPGZRSTI-LBTPYSACSA-N 0 3 150.225 2.232 10 30 AEEEHN CS[C@@H]1CCC[C@@H]1NC[C@H](C)C#N 300378524 572137416 /nfs/dbraw/zinc/13/74/16/572137416.db2.gz BEBYNCREMSUKGC-KXUCPTDWSA-N 0 3 198.335 2.020 10 30 AEEEHN CS[C@@H]1CCC[C@H]1NC[C@H](C)C#N 300378525 572138324 /nfs/dbraw/zinc/13/83/24/572138324.db2.gz BEBYNCREMSUKGC-OPRDCNLKSA-N 0 3 198.335 2.020 10 30 AEEEHN CC[C@@H]1C[C@@H]1NCC#Cc1ccccc1 300374224 572141870 /nfs/dbraw/zinc/14/18/70/572141870.db2.gz BOARDKSOCHGJOA-KGLIPLIRSA-N 0 3 199.297 2.426 10 30 AEEEHN C#CCCN[C@@H](CC)c1ccco1 69767604 572143302 /nfs/dbraw/zinc/14/33/02/572143302.db2.gz BXKLWJDXWLPZHS-JTQLQIEISA-N 0 3 177.247 2.344 10 30 AEEEHN C#CCCNCc1ccc(F)c(C)c1 69767590 572143991 /nfs/dbraw/zinc/14/39/91/572143991.db2.gz MFUZKEJPRNFCAL-UHFFFAOYSA-N 0 3 191.249 2.247 10 30 AEEEHN C#CCCN[C@H](CC)c1ccco1 69767606 572144209 /nfs/dbraw/zinc/14/42/09/572144209.db2.gz BXKLWJDXWLPZHS-SNVBAGLBSA-N 0 3 177.247 2.344 10 30 AEEEHN C#CCC[NH2+][C@@H](C)c1ccccc1[O-] 69767506 572144260 /nfs/dbraw/zinc/14/42/60/572144260.db2.gz JMWRZYQRHTWZGF-JTQLQIEISA-N 0 3 189.258 2.066 10 30 AEEEHN CS[C@H]1CCCC[C@H]1NCCC#N 300381141 572144652 /nfs/dbraw/zinc/14/46/52/572144652.db2.gz FAFQKWNCMYJDGF-ZJUUUORDSA-N 0 3 198.335 2.164 10 30 AEEEHN C[C@H](N[C@H](C)CC#N)C1CCCC1 69804482 572145582 /nfs/dbraw/zinc/14/55/82/572145582.db2.gz WOTXBDPIVOFQOA-ZJUUUORDSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CC#N)N[C@@H](C)C1CCCC1 69804480 572145668 /nfs/dbraw/zinc/14/56/68/572145668.db2.gz WOTXBDPIVOFQOA-UWVGGRQHSA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1C[C@H]1CC 300381568 572145747 /nfs/dbraw/zinc/14/57/47/572145747.db2.gz JJJOWIITZSHOBF-OPRDCNLKSA-N 0 3 166.268 2.067 10 30 AEEEHN C[C@@H](CC#N)N[C@H](C)C1CCCC1 69804485 572146557 /nfs/dbraw/zinc/14/65/57/572146557.db2.gz WOTXBDPIVOFQOA-VHSXEESVSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](CC#N)N[C@H](C)C1CCCC1 69804491 572146805 /nfs/dbraw/zinc/14/68/05/572146805.db2.gz WOTXBDPIVOFQOA-NXEZZACHSA-N 0 3 180.295 2.457 10 30 AEEEHN CS[C@@H]1CC[C@H](NC[C@H](C)C#N)C1 300385298 572150630 /nfs/dbraw/zinc/15/06/30/572150630.db2.gz KHJFCCNGBFKUGH-KXUCPTDWSA-N 0 3 198.335 2.020 10 30 AEEEHN CS[C@@H]1CC[C@@H](NC[C@H](C)C#N)C1 300385299 572151886 /nfs/dbraw/zinc/15/18/86/572151886.db2.gz KHJFCCNGBFKUGH-OPRDCNLKSA-N 0 3 198.335 2.020 10 30 AEEEHN NCC#Cc1ccc(F)c2ccccc12 69900639 572153574 /nfs/dbraw/zinc/15/35/74/572153574.db2.gz VMSRHOWLPCNDTO-UHFFFAOYSA-N 0 3 199.228 2.289 10 30 AEEEHN C[C@H]1CC[C@@H](C)[C@H](NCCC#N)C1 82858005 572155836 /nfs/dbraw/zinc/15/58/36/572155836.db2.gz SOZJIZWDLAVHEL-HBNTYKKESA-N 0 3 180.295 2.314 10 30 AEEEHN CCC[C@@H]1C[C@H]1N[C@H](CC)CC#N 300393272 572162133 /nfs/dbraw/zinc/16/21/33/572162133.db2.gz XPDKPHBRYCKELJ-GMTAPVOTSA-N 0 3 180.295 2.457 10 30 AEEEHN CC#CC[C@@H](NCC)c1ccoc1 69946875 572162412 /nfs/dbraw/zinc/16/24/12/572162412.db2.gz PBJDLARNIFCDFE-LLVKDONJSA-N 0 3 177.247 2.344 10 30 AEEEHN C#CCC[C@H](NCC)c1ccoc1 69946870 572162473 /nfs/dbraw/zinc/16/24/73/572162473.db2.gz JBZXMZHNYHPNCJ-NSHDSACASA-N 0 3 177.247 2.344 10 30 AEEEHN CS[C@@H]1CCC[C@@H]1N[C@H](C)CC#N 300390821 572162522 /nfs/dbraw/zinc/16/25/22/572162522.db2.gz RWUZOUBXQIWHHY-KXUCPTDWSA-N 0 3 198.335 2.162 10 30 AEEEHN CCC[C@@H]1C[C@@H]1N[C@H](CC)CC#N 300393273 572163717 /nfs/dbraw/zinc/16/37/17/572163717.db2.gz XPDKPHBRYCKELJ-MXWKQRLJSA-N 0 3 180.295 2.457 10 30 AEEEHN C#CC[C@H](NCCC)c1ccoc1 69947032 572163857 /nfs/dbraw/zinc/16/38/57/572163857.db2.gz IHIQNKHCOXAUGQ-NSHDSACASA-N 0 3 177.247 2.344 10 30 AEEEHN CS[C@@H]1CCC[C@H]1N[C@H](C)CC#N 300390822 572163875 /nfs/dbraw/zinc/16/38/75/572163875.db2.gz RWUZOUBXQIWHHY-OPRDCNLKSA-N 0 3 198.335 2.162 10 30 AEEEHN CCC[C@@H]1C[C@@H]1N[C@@H](CC)CC#N 300393274 572163977 /nfs/dbraw/zinc/16/39/77/572163977.db2.gz XPDKPHBRYCKELJ-VWYCJHECSA-N 0 3 180.295 2.457 10 30 AEEEHN CCS[C@@H]1CC[C@H](NCCC#N)C1 300395238 572166872 /nfs/dbraw/zinc/16/68/72/572166872.db2.gz ZCNMZUDHBRTORV-VHSXEESVSA-N 0 3 198.335 2.164 10 30 AEEEHN C[C@H](C#N)[C@H](C)NCC(C)(C)C 393346651 572168680 /nfs/dbraw/zinc/16/86/80/572168680.db2.gz FBFPRTFJIGXTDB-BDAKNGLRSA-N 0 3 168.284 2.170 10 30 AEEEHN C[C@H](C#N)[C@@H](C)NCC(C)(C)C 393346658 572168882 /nfs/dbraw/zinc/16/88/82/572168882.db2.gz FBFPRTFJIGXTDB-RKDXNWHRSA-N 0 3 168.284 2.170 10 30 AEEEHN C[C@H](NCC(C)(C)C)[C@@H](C)C#N 393346656 572168989 /nfs/dbraw/zinc/16/89/89/572168989.db2.gz FBFPRTFJIGXTDB-IUCAKERBSA-N 0 3 168.284 2.170 10 30 AEEEHN C[C@@H](C#N)[C@@H](C)NCC(C)(C)C 393346653 572169450 /nfs/dbraw/zinc/16/94/50/572169450.db2.gz FBFPRTFJIGXTDB-DTWKUNHWSA-N 0 3 168.284 2.170 10 30 AEEEHN C=CCNCc1ccc2c(c1)CCC2 70063394 572173935 /nfs/dbraw/zinc/17/39/35/572173935.db2.gz YGOZDHCJJBFESU-UHFFFAOYSA-N 0 3 187.286 2.451 10 30 AEEEHN C[C@H](C#N)CN(CC1CC1)CC1CC1 70064213 572174271 /nfs/dbraw/zinc/17/42/71/572174271.db2.gz INXPSIFOTWYBSL-SNVBAGLBSA-N 0 3 192.306 2.268 10 30 AEEEHN C[C@@H](C#N)CN(CC1CC1)CC1CC1 70064214 572174611 /nfs/dbraw/zinc/17/46/11/572174611.db2.gz INXPSIFOTWYBSL-JTQLQIEISA-N 0 3 192.306 2.268 10 30 AEEEHN C[C@H](CC#N)N(CC1CC1)CC1CC1 70064222 572175510 /nfs/dbraw/zinc/17/55/10/572175510.db2.gz AVNKBORCFOCLRV-SNVBAGLBSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H](CC#N)N(CC1CC1)CC1CC1 70064221 572175606 /nfs/dbraw/zinc/17/56/06/572175606.db2.gz AVNKBORCFOCLRV-JTQLQIEISA-N 0 3 192.306 2.411 10 30 AEEEHN C#CCCNCc1ccc(F)c(F)c1 70073179 572177997 /nfs/dbraw/zinc/17/79/97/572177997.db2.gz JEARQHQJVIMBFR-UHFFFAOYSA-N 0 3 195.212 2.078 10 30 AEEEHN CS[C@@H]1CCC[C@@H]1NC[C@@H](C)C#N 235165216 572180049 /nfs/dbraw/zinc/18/00/49/572180049.db2.gz BEBYNCREMSUKGC-LPEHRKFASA-N 0 3 198.335 2.020 10 30 AEEEHN C#CCCNCc1ccc(Cl)cc1 70159501 572182672 /nfs/dbraw/zinc/18/26/72/572182672.db2.gz QIEDPROXHWDMRD-UHFFFAOYSA-N 0 3 193.677 2.453 10 30 AEEEHN C#CCCN(C)Cc1ccc(F)cc1 70159408 572185031 /nfs/dbraw/zinc/18/50/31/572185031.db2.gz ZJBOASLEBKBCMM-UHFFFAOYSA-N 0 3 191.249 2.281 10 30 AEEEHN CC[C@H]1CC[C@@H](NCCC#N)[C@@H]1C 83048512 572188728 /nfs/dbraw/zinc/18/87/28/572188728.db2.gz AAEGVXWYYPFULU-OUAUKWLOSA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@@H]1CC[C@H](NCCC#N)[C@@H]1C 83048505 572189314 /nfs/dbraw/zinc/18/93/14/572189314.db2.gz AAEGVXWYYPFULU-MXWKQRLJSA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@@H]1CC[C@@H](NCCC#N)[C@@H]1C 83048509 572189325 /nfs/dbraw/zinc/18/93/25/572189325.db2.gz AAEGVXWYYPFULU-GMTAPVOTSA-N 0 3 180.295 2.314 10 30 AEEEHN C=CCCCCNC[C@H](C#N)C1CC1 397318985 572189345 /nfs/dbraw/zinc/18/93/45/572189345.db2.gz SBCHWKOLSLNTNJ-LBPRGKRZSA-N 0 3 192.306 2.482 10 30 AEEEHN CC[C@H]1CC[C@H](NCCC#N)[C@@H]1C 83048508 572189851 /nfs/dbraw/zinc/18/98/51/572189851.db2.gz AAEGVXWYYPFULU-VWYCJHECSA-N 0 3 180.295 2.314 10 30 AEEEHN C=CCCCCNC[C@@H](C#N)C1CC1 397318983 572190152 /nfs/dbraw/zinc/19/01/52/572190152.db2.gz SBCHWKOLSLNTNJ-GFCCVEGCSA-N 0 3 192.306 2.482 10 30 AEEEHN CC[C@@H](N[C@H]1CCC[C@@H]1C#N)C1CC1 83056497 572190747 /nfs/dbraw/zinc/19/07/47/572190747.db2.gz LRHTZNBDQQACMR-UTUOFQBUSA-N 0 3 192.306 2.457 10 30 AEEEHN C#CCCNCc1ccc(Cl)o1 70191096 572191029 /nfs/dbraw/zinc/19/10/29/572191029.db2.gz AINKXQJFJSHFJG-UHFFFAOYSA-N 0 3 183.638 2.046 10 30 AEEEHN C#CCCN[C@@H](C)c1ccc(C)o1 70191048 572191293 /nfs/dbraw/zinc/19/12/93/572191293.db2.gz JXBIHWCKEJOJAG-JTQLQIEISA-N 0 3 177.247 2.262 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@@H]1CC 234088484 572191496 /nfs/dbraw/zinc/19/14/96/572191496.db2.gz CYVVRQLNFJXAPS-JGVFFNPUSA-N 0 3 159.660 2.127 10 30 AEEEHN C#CCCN[C@H](C)c1ccccc1F 70190965 572191695 /nfs/dbraw/zinc/19/16/95/572191695.db2.gz RTKLOFXJYZKSHT-SNVBAGLBSA-N 0 3 191.249 2.500 10 30 AEEEHN C=C(C)[C@H](NC)c1cnc(C)s1 234403491 572191986 /nfs/dbraw/zinc/19/19/86/572191986.db2.gz KTKLLRQSPHMTEV-VIFPVBQESA-N 0 3 182.292 2.288 10 30 AEEEHN C#CCCN[C@H](C)c1ccc(C)o1 70191046 572192214 /nfs/dbraw/zinc/19/22/14/572192214.db2.gz JXBIHWCKEJOJAG-SNVBAGLBSA-N 0 3 177.247 2.262 10 30 AEEEHN CC[C@@H](N[C@@H]1CCC[C@@H]1C#N)C1CC1 83056493 572192235 /nfs/dbraw/zinc/19/22/35/572192235.db2.gz LRHTZNBDQQACMR-IJLUTSLNSA-N 0 3 192.306 2.457 10 30 AEEEHN C#CCCN[C@H](C)c1cccc(F)c1 70190977 572192376 /nfs/dbraw/zinc/19/23/76/572192376.db2.gz FBCAHLMLOPKHCZ-SNVBAGLBSA-N 0 3 191.249 2.500 10 30 AEEEHN C#CCCN[C@@H](C)c1cccc(F)c1 70190975 572192525 /nfs/dbraw/zinc/19/25/25/572192525.db2.gz FBCAHLMLOPKHCZ-JTQLQIEISA-N 0 3 191.249 2.500 10 30 AEEEHN CC[C@@H]1CCCN(C[C@@H](C)C#N)C1 36169575 572193662 /nfs/dbraw/zinc/19/36/62/572193662.db2.gz IWSQIWNMEJOCGC-WDEREUQCSA-N 0 3 180.295 2.268 10 30 AEEEHN C#CCCN[C@@H](C)c1ccc(F)cc1 70199455 572194008 /nfs/dbraw/zinc/19/40/08/572194008.db2.gz PGXQAOBYLSTPFB-JTQLQIEISA-N 0 3 191.249 2.500 10 30 AEEEHN C#CCCN[C@H](C)c1ccc(F)cc1 70199456 572194337 /nfs/dbraw/zinc/19/43/37/572194337.db2.gz PGXQAOBYLSTPFB-SNVBAGLBSA-N 0 3 191.249 2.500 10 30 AEEEHN C#CCCNCc1cccc(Cl)c1 70199496 572194503 /nfs/dbraw/zinc/19/45/03/572194503.db2.gz ZLJIYBRSTDEFBH-UHFFFAOYSA-N 0 3 193.677 2.453 10 30 AEEEHN CC[C@H](CC#N)N[C@@H](C)C(C)(C)OC 300972998 572194748 /nfs/dbraw/zinc/19/47/48/572194748.db2.gz JMVDVGYOEKRXTE-VHSXEESVSA-N 0 3 198.310 2.082 10 30 AEEEHN CC[C@H]1CCCN(C[C@@H](C)C#N)C1 36169577 572195036 /nfs/dbraw/zinc/19/50/36/572195036.db2.gz IWSQIWNMEJOCGC-QWRGUYRKSA-N 0 3 180.295 2.268 10 30 AEEEHN C#CCCNCc1ccccc1Cl 70199457 572196254 /nfs/dbraw/zinc/19/62/54/572196254.db2.gz PMORKBYRRWBUHY-UHFFFAOYSA-N 0 3 193.677 2.453 10 30 AEEEHN CS[C@@H]1CCCC[C@H]1NCCC#N 235180811 572199941 /nfs/dbraw/zinc/19/99/41/572199941.db2.gz FAFQKWNCMYJDGF-NXEZZACHSA-N 0 3 198.335 2.164 10 30 AEEEHN C=CCCCCNCc1cnoc1 686230476 572203470 /nfs/dbraw/zinc/20/34/70/572203470.db2.gz IJQMEVDDMSGDHG-UHFFFAOYSA-N 0 3 180.251 2.121 10 30 AEEEHN CS[C@@H]1CCC[C@@H]1N[C@@H](C)CC#N 235184949 572203768 /nfs/dbraw/zinc/20/37/68/572203768.db2.gz RWUZOUBXQIWHHY-LPEHRKFASA-N 0 3 198.335 2.162 10 30 AEEEHN CC[C@](C)(N)C(=O)C1=CCCCC1 234096249 572204381 /nfs/dbraw/zinc/20/43/81/572204381.db2.gz ROHKHNFASJJINM-NSHDSACASA-N 0 3 181.279 2.183 10 30 AEEEHN C=C(Cl)CN[C@H]1C[C@@H]1CC 234096816 572204575 /nfs/dbraw/zinc/20/45/75/572204575.db2.gz CYVVRQLNFJXAPS-YUMQZZPRSA-N 0 3 159.660 2.127 10 30 AEEEHN CN[C@@H](C)C(=O)C1=CCCCCC1 234419279 572210065 /nfs/dbraw/zinc/21/00/65/572210065.db2.gz ZSUUJGQXEKQWNC-VIFPVBQESA-N 0 3 181.279 2.054 10 30 AEEEHN CN[C@@H](C)C(=O)C1=CCCCCCC1 234419313 572210507 /nfs/dbraw/zinc/21/05/07/572210507.db2.gz UOHNOPCLQNTFCC-JTQLQIEISA-N 0 3 195.306 2.444 10 30 AEEEHN CCNC1(CC#N)CCCCC1 140414277 572213768 /nfs/dbraw/zinc/21/37/68/572213768.db2.gz FSCKAKLBNKIADF-UHFFFAOYSA-N 0 3 166.268 2.212 10 30 AEEEHN CCCCN(CC=O)CCCC 43803238 572214863 /nfs/dbraw/zinc/21/48/63/572214863.db2.gz TUDLFXUIPRNUGQ-UHFFFAOYSA-N 0 3 171.284 2.088 10 30 AEEEHN CC(C)(C#N)CCN1CCC1(C)C 687795781 572215552 /nfs/dbraw/zinc/21/55/52/572215552.db2.gz FDUCXAAPSAIQRE-UHFFFAOYSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@H](C#N)CN1CCCCCCC1 36667556 572218103 /nfs/dbraw/zinc/21/81/03/572218103.db2.gz VNWQTDPQXNBXHO-LLVKDONJSA-N 0 3 180.295 2.412 10 30 AEEEHN CC1=C[C@@H](C)C[C@@H](CNCCC#N)C1 235672711 572220312 /nfs/dbraw/zinc/22/03/12/572220312.db2.gz LTKJJWCZAARKAJ-ZYHUDNBSSA-N 0 3 192.306 2.482 10 30 AEEEHN C[C@H](C1CC1)N(C)[C@@H]1CCC[C@@H]1C#N 36785327 572221012 /nfs/dbraw/zinc/22/10/12/572221012.db2.gz BHTDDCMRMWPQHL-YUSALJHKSA-N 0 3 192.306 2.409 10 30 AEEEHN CC[C@](C)(N)C(=O)CC#CC(C)(C)C 300762546 572222131 /nfs/dbraw/zinc/22/21/31/572222131.db2.gz NZWWUJJHHAMOQW-LBPRGKRZSA-N 0 3 195.306 2.123 10 30 AEEEHN CCC(C#N)C(=O)CC[C@@H]1CCCO1 83523875 572227714 /nfs/dbraw/zinc/22/77/14/572227714.db2.gz OGOZCYOHWRNANY-ZJUUUORDSA-N 0 3 195.262 2.064 10 30 AEEEHN C=C[C@H](NC)c1sc(C)nc1C 234433005 572228115 /nfs/dbraw/zinc/22/81/15/572228115.db2.gz YXPLCFNBTRKULL-QMMMGPOBSA-N 0 3 182.292 2.206 10 30 AEEEHN CCC(C#N)C(=O)CC[C@@H]1CCCO1 83523874 572228885 /nfs/dbraw/zinc/22/88/85/572228885.db2.gz OGOZCYOHWRNANY-UWVGGRQHSA-N 0 3 195.262 2.064 10 30 AEEEHN CCC(C#N)C(=O)CC[C@H]1CCCO1 83523877 572228939 /nfs/dbraw/zinc/22/89/39/572228939.db2.gz OGOZCYOHWRNANY-NXEZZACHSA-N 0 3 195.262 2.064 10 30 AEEEHN CCC(C#N)C(=O)[C@H](C)CC 36916104 572230507 /nfs/dbraw/zinc/23/05/07/572230507.db2.gz DWKVOEUZSKVDEU-SFYZADRCSA-N 0 3 153.225 2.151 10 30 AEEEHN C=C(C)CNCC#CC(C)(C)C 300787974 572229474 /nfs/dbraw/zinc/22/94/74/572229474.db2.gz SOEXCXXDLYTSEJ-UHFFFAOYSA-N 0 3 165.280 2.202 10 30 AEEEHN CCC(C#N)C(=O)CC[C@H]1CCCO1 83523876 572229778 /nfs/dbraw/zinc/22/97/78/572229778.db2.gz OGOZCYOHWRNANY-VHSXEESVSA-N 0 3 195.262 2.064 10 30 AEEEHN CCC(C#N)C(=O)CC(C)C 36916089 572230467 /nfs/dbraw/zinc/23/04/67/572230467.db2.gz GILJFOGEZVIFGB-MRVPVSSYSA-N 0 3 153.225 2.151 10 30 AEEEHN CC#CCCNCC#CC(C)(C)C 300718523 572230902 /nfs/dbraw/zinc/23/09/02/572230902.db2.gz AKROAQIBCUEVDP-UHFFFAOYSA-N 0 3 177.291 2.039 10 30 AEEEHN CCC(C#N)C(=O)CC(C)C 36916088 572231244 /nfs/dbraw/zinc/23/12/44/572231244.db2.gz GILJFOGEZVIFGB-QMMMGPOBSA-N 0 3 153.225 2.151 10 30 AEEEHN CC[C@@H](CC#N)N(C)C(C)C 36986715 572232709 /nfs/dbraw/zinc/23/27/09/572232709.db2.gz IYBUETDKIAVQEI-VIFPVBQESA-N 0 3 154.257 2.019 10 30 AEEEHN CC[C@H](CC#N)N(C)C(C)C 36986716 572233002 /nfs/dbraw/zinc/23/30/02/572233002.db2.gz IYBUETDKIAVQEI-SECBINFHSA-N 0 3 154.257 2.019 10 30 AEEEHN CC[C@@](C)(N)C(=O)CC#CC(C)(C)C 300762544 572236053 /nfs/dbraw/zinc/23/60/53/572236053.db2.gz NZWWUJJHHAMOQW-GFCCVEGCSA-N 0 3 195.306 2.123 10 30 AEEEHN C=CCCOc1ccccc1CNC 70591051 572239200 /nfs/dbraw/zinc/23/92/00/572239200.db2.gz LEEPBUOWLQUJML-UHFFFAOYSA-N 0 3 191.274 2.361 10 30 AEEEHN C=CCN[C@H](C)c1ccc(O)cc1F 235215228 572248692 /nfs/dbraw/zinc/24/86/92/572248692.db2.gz SNBIPELCZYDXBF-MRVPVSSYSA-N 0 3 195.237 2.368 10 30 AEEEHN CCC#C[C@H](C)SCCN(C)C 393372566 572249698 /nfs/dbraw/zinc/24/96/98/572249698.db2.gz OZSPBHJTOQOHCZ-JTQLQIEISA-N 0 3 185.336 2.083 10 30 AEEEHN CCC#C[C@@H](C)SCCN(C)C 393372568 572249706 /nfs/dbraw/zinc/24/97/06/572249706.db2.gz OZSPBHJTOQOHCZ-SNVBAGLBSA-N 0 3 185.336 2.083 10 30 AEEEHN C=C[C@H](C)N1C[C@@H](C)S[C@H](C)C1 307004987 572329685 /nfs/dbraw/zinc/32/96/85/572329685.db2.gz DTVRAYHQURFFOA-IVZWLZJFSA-N 0 3 185.336 2.387 10 30 AEEEHN C=CC[C@@H](N)C(=O)C1=CCCCCC1 236317698 572331100 /nfs/dbraw/zinc/33/11/00/572331100.db2.gz BYZHRBOHZWWIQQ-LLVKDONJSA-N 0 3 193.290 2.349 10 30 AEEEHN CCCCN[C@@H](C=O)CC(C)(C)C 238204345 572335737 /nfs/dbraw/zinc/33/57/37/572335737.db2.gz LCQYOZGWJDVEMY-SNVBAGLBSA-N 0 3 185.311 2.380 10 30 AEEEHN CCCCC[C@@H](C=O)N(CC)CC 238207044 572336650 /nfs/dbraw/zinc/33/66/50/572336650.db2.gz PDCJESZPZBXGQX-NSHDSACASA-N 0 3 185.311 2.476 10 30 AEEEHN C=CCC[C@H](NCC)c1ccn(C)n1 83574128 572340067 /nfs/dbraw/zinc/34/00/67/572340067.db2.gz VHVKABKVMGELPD-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN C=CCCC[C@H](NC)c1ccn(C)n1 83573905 572340086 /nfs/dbraw/zinc/34/00/86/572340086.db2.gz ZNFRIOMTMLDNDS-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN C=CC[C@H](NCCC)c1ccn(C)n1 83574214 572340419 /nfs/dbraw/zinc/34/04/19/572340419.db2.gz CFGHUPPAIDQZHC-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN C=CCCC[C@@H](NC)c1ccn(C)n1 83573907 572340626 /nfs/dbraw/zinc/34/06/26/572340626.db2.gz ZNFRIOMTMLDNDS-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN C=CC[C@@H](NCCC)c1ccn(C)n1 83574217 572340953 /nfs/dbraw/zinc/34/09/53/572340953.db2.gz CFGHUPPAIDQZHC-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN C=CCC[C@@H](NCC)c1ccn(C)n1 83574131 572341136 /nfs/dbraw/zinc/34/11/36/572341136.db2.gz VHVKABKVMGELPD-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN CN[C@H](C)C(=O)C1=CCCCCCC1 234424477 572341717 /nfs/dbraw/zinc/34/17/17/572341717.db2.gz UOHNOPCLQNTFCC-SNVBAGLBSA-N 0 3 195.306 2.444 10 30 AEEEHN CN[C@H](C)C(=O)C1=CCCCCC1 234424442 572342199 /nfs/dbraw/zinc/34/21/99/572342199.db2.gz ZSUUJGQXEKQWNC-SECBINFHSA-N 0 3 181.279 2.054 10 30 AEEEHN C#C[C@@H](C)NCC1=CCCCC1 307123067 572343254 /nfs/dbraw/zinc/34/32/54/572343254.db2.gz WSUJARXMRJBHSA-SNVBAGLBSA-N 0 3 163.264 2.098 10 30 AEEEHN CCCCCC[C@@H]1CC(=C[O-])C(=O)O1 238213865 572343766 /nfs/dbraw/zinc/34/37/66/572343766.db2.gz ONBJZHHBCOJZKZ-NXEZZACHSA-N 0 3 198.262 2.087 10 30 AEEEHN CCCCCC[C@@H]1CC(C=O)C(=O)O1 238213865 572343768 /nfs/dbraw/zinc/34/37/68/572343768.db2.gz ONBJZHHBCOJZKZ-NXEZZACHSA-N 0 3 198.262 2.087 10 30 AEEEHN C#CCNCc1cccc(C2CC2)c1 87011672 572345986 /nfs/dbraw/zinc/34/59/86/572345986.db2.gz GVXFRQJRUAPMCA-UHFFFAOYSA-N 0 3 185.270 2.287 10 30 AEEEHN C#CCN[C@@H](C)c1ccc(F)cc1C 307163625 572346415 /nfs/dbraw/zinc/34/64/15/572346415.db2.gz ZOQLAOLTDIHKEY-JTQLQIEISA-N 0 3 191.249 2.418 10 30 AEEEHN C#CCNCc1ccc(C2CC2)cc1 87011674 572347187 /nfs/dbraw/zinc/34/71/87/572347187.db2.gz BJHSYERAHLROJZ-UHFFFAOYSA-N 0 3 185.270 2.287 10 30 AEEEHN N#Cc1cccc(-c2cnccc2N)c1 96868786 572347378 /nfs/dbraw/zinc/34/73/78/572347378.db2.gz LNGVLHFUEKNJLQ-UHFFFAOYSA-N 0 3 195.225 2.202 10 30 AEEEHN CCCCN=CNc1ccncc1 238218679 572347733 /nfs/dbraw/zinc/34/77/33/572347733.db2.gz PXHKGODUAFKHPM-UHFFFAOYSA-N 0 3 177.251 2.131 10 30 AEEEHN CN(CCS)Cc1cccc(F)c1 87056439 572349145 /nfs/dbraw/zinc/34/91/45/572349145.db2.gz HZYZHYPTHXCFHU-UHFFFAOYSA-N 0 3 199.294 2.187 10 30 AEEEHN Cc1ccc(CN(C)CCS)cc1 87056367 572351119 /nfs/dbraw/zinc/35/11/19/572351119.db2.gz HEPQUKKMRDUWLJ-UHFFFAOYSA-N 0 3 195.331 2.357 10 30 AEEEHN CN(CCCS)Cc1ccco1 87057728 572353171 /nfs/dbraw/zinc/35/31/71/572353171.db2.gz YJDGBMKWCRZTPH-UHFFFAOYSA-N 0 3 185.292 2.031 10 30 AEEEHN CN(CCCCS)Cc1ccco1 87057726 572353730 /nfs/dbraw/zinc/35/37/30/572353730.db2.gz XSLKMURMHVWOLX-UHFFFAOYSA-N 0 3 199.319 2.421 10 30 AEEEHN CC[C@@H](C1CC1)N(C)CCC#N 307989070 572353786 /nfs/dbraw/zinc/35/37/86/572353786.db2.gz SKSBKMNYJYEKOO-JTQLQIEISA-N 0 3 166.268 2.020 10 30 AEEEHN CC#CCN[C@H]1C[C@@]1(C)C(C)C 307124734 572353884 /nfs/dbraw/zinc/35/38/84/572353884.db2.gz RZPZRSYVXGPSHC-QWRGUYRKSA-N 0 3 165.280 2.034 10 30 AEEEHN CC#CCN[C@H]1C[C@]1(C)C(C)C 307124735 572354035 /nfs/dbraw/zinc/35/40/35/572354035.db2.gz RZPZRSYVXGPSHC-WDEREUQCSA-N 0 3 165.280 2.034 10 30 AEEEHN C#C[C@H](C)NCC1=CCCCC1 307123066 572354056 /nfs/dbraw/zinc/35/40/56/572354056.db2.gz WSUJARXMRJBHSA-JTQLQIEISA-N 0 3 163.264 2.098 10 30 AEEEHN CC[C@H](C1CC1)N(C)CCC#N 307989073 572354584 /nfs/dbraw/zinc/35/45/84/572354584.db2.gz SKSBKMNYJYEKOO-SNVBAGLBSA-N 0 3 166.268 2.020 10 30 AEEEHN N#Cc1ccc(-c2cc(N)ccn2)cc1 238648350 572354873 /nfs/dbraw/zinc/35/48/73/572354873.db2.gz GEOWVBWMZLFEAK-UHFFFAOYSA-N 0 3 195.225 2.202 10 30 AEEEHN C[C@H](CS)CN(C)Cc1ccco1 87057752 572355071 /nfs/dbraw/zinc/35/50/71/572355071.db2.gz KUOTUFPQPUDUIM-VIFPVBQESA-N 0 3 199.319 2.277 10 30 AEEEHN C[C@@H](CS)CN(C)Cc1ccco1 87057754 572356331 /nfs/dbraw/zinc/35/63/31/572356331.db2.gz KUOTUFPQPUDUIM-SECBINFHSA-N 0 3 199.319 2.277 10 30 AEEEHN CN(CCCS)Cc1ccoc1 87073398 572357851 /nfs/dbraw/zinc/35/78/51/572357851.db2.gz SIKKAFTXNUTDJF-UHFFFAOYSA-N 0 3 185.292 2.031 10 30 AEEEHN CCN(CCCS)Cc1ccco1 87074932 572358167 /nfs/dbraw/zinc/35/81/67/572358167.db2.gz BOPKEVJYSPUKDF-UHFFFAOYSA-N 0 3 199.319 2.421 10 30 AEEEHN C[C@@H](CS)CN(C)Cc1ccoc1 87073423 572358297 /nfs/dbraw/zinc/35/82/97/572358297.db2.gz AVCXEFNIQITWPI-SECBINFHSA-N 0 3 199.319 2.277 10 30 AEEEHN Cc1occc1CN(C)CCCS 87075601 572358309 /nfs/dbraw/zinc/35/83/09/572358309.db2.gz QMVQROBUPBCSDT-UHFFFAOYSA-N 0 3 199.319 2.340 10 30 AEEEHN CN(CCCCS)Cc1ccoc1 87073396 572358680 /nfs/dbraw/zinc/35/86/80/572358680.db2.gz NTVGMDIZTNXMRC-UHFFFAOYSA-N 0 3 199.319 2.421 10 30 AEEEHN Cc1cccc(CN(C)CCS)c1 87075503 572358951 /nfs/dbraw/zinc/35/89/51/572358951.db2.gz GYIMZLWAVYSUDN-UHFFFAOYSA-N 0 3 195.331 2.357 10 30 AEEEHN CN(CCS)Cc1ccc(F)cc1 87075523 572359936 /nfs/dbraw/zinc/35/99/36/572359936.db2.gz NMQBPZGUZIQPEN-UHFFFAOYSA-N 0 3 199.294 2.187 10 30 AEEEHN CCN(CCS)Cc1ccco1 87074939 572360155 /nfs/dbraw/zinc/36/01/55/572360155.db2.gz FFKULLPPUZQBPZ-UHFFFAOYSA-N 0 3 185.292 2.031 10 30 AEEEHN C=CCN(CC)Cc1cc[nH]c1 307997422 572360584 /nfs/dbraw/zinc/36/05/84/572360584.db2.gz XDAYZNOXHJOLKP-UHFFFAOYSA-N 0 3 164.252 2.023 10 30 AEEEHN C[C@H](CS)CN(C)Cc1ccoc1 87073422 572361029 /nfs/dbraw/zinc/36/10/29/572361029.db2.gz AVCXEFNIQITWPI-VIFPVBQESA-N 0 3 199.319 2.277 10 30 AEEEHN C#CCN(CC=C(C)C)CCC 307998008 572361249 /nfs/dbraw/zinc/36/12/49/572361249.db2.gz XNWDUZHZNGFAJA-UHFFFAOYSA-N 0 3 165.280 2.298 10 30 AEEEHN C=CCOc1ccc(F)cc1[C@H](C)N 87111538 572361838 /nfs/dbraw/zinc/36/18/38/572361838.db2.gz AJSRBTSXSQEODE-QMMMGPOBSA-N 0 3 195.237 2.410 10 30 AEEEHN N#Cc1ccccc1-c1cnccc1N 238663476 572362102 /nfs/dbraw/zinc/36/21/02/572362102.db2.gz YDFKLEFWPFCXKQ-UHFFFAOYSA-N 0 3 195.225 2.202 10 30 AEEEHN C=CC[NH2+][C@H](C)c1cc(F)ccc1[O-] 87111302 572364340 /nfs/dbraw/zinc/36/43/40/572364340.db2.gz JDYFFDYFHGGAQE-MRVPVSSYSA-N 0 3 195.237 2.368 10 30 AEEEHN C=CCOc1ccc(F)cc1[C@@H](C)N 87111539 572364367 /nfs/dbraw/zinc/36/43/67/572364367.db2.gz AJSRBTSXSQEODE-MRVPVSSYSA-N 0 3 195.237 2.410 10 30 AEEEHN C=CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] 87111301 572364495 /nfs/dbraw/zinc/36/44/95/572364495.db2.gz JDYFFDYFHGGAQE-QMMMGPOBSA-N 0 3 195.237 2.368 10 30 AEEEHN C=C1CN(C)[C@@]2(C=C(OC)CCC2)C1 39425048 572367984 /nfs/dbraw/zinc/36/79/84/572367984.db2.gz CLOITTKRKHLVNR-GFCCVEGCSA-N 0 3 193.290 2.331 10 30 AEEEHN C#CCN[C@H](C)c1ccc(F)cc1C 307163627 572368160 /nfs/dbraw/zinc/36/81/60/572368160.db2.gz ZOQLAOLTDIHKEY-SNVBAGLBSA-N 0 3 191.249 2.418 10 30 AEEEHN CCCCCCCN=CNCC#N 238222544 572369398 /nfs/dbraw/zinc/36/93/98/572369398.db2.gz KUGULUKRXWLXML-UHFFFAOYSA-N 0 3 181.283 2.098 10 30 AEEEHN C#CCN(CC)CC=C1CCC1 307994841 572370666 /nfs/dbraw/zinc/37/06/66/572370666.db2.gz VUFSUJFLPAYHDN-UHFFFAOYSA-N 0 3 163.264 2.052 10 30 AEEEHN CC(C)[C@H](N)C#Cc1cccc(F)c1 300951605 572373922 /nfs/dbraw/zinc/37/39/22/572373922.db2.gz PUFLHSBZTASEHI-GFCCVEGCSA-N 0 3 191.249 2.161 10 30 AEEEHN CCC1CC(N[C@@H](C)CC#N)C1 307996658 572374469 /nfs/dbraw/zinc/37/44/69/572374469.db2.gz WSHDGAZJQWUSQK-IDKOKCKLSA-N 0 3 166.268 2.067 10 30 AEEEHN CCC[C@H](NCCC#N)C1CC1 308002487 572374815 /nfs/dbraw/zinc/37/48/15/572374815.db2.gz ISNYQWYBPMRTKO-JTQLQIEISA-N 0 3 166.268 2.068 10 30 AEEEHN CCC[C@@H](NCCC#N)C1CC1 308002488 572375882 /nfs/dbraw/zinc/37/58/82/572375882.db2.gz ISNYQWYBPMRTKO-SNVBAGLBSA-N 0 3 166.268 2.068 10 30 AEEEHN C=C(CNCc1ccccc1)OCC 196769934 572376598 /nfs/dbraw/zinc/37/65/98/572376598.db2.gz GIOLUIJRUUZGHB-UHFFFAOYSA-N 0 3 191.274 2.326 10 30 AEEEHN CCCCC[C@@](C)(O)C#CC(C)(C)N 238224109 572378759 /nfs/dbraw/zinc/37/87/59/572378759.db2.gz GWLHCEIWFSDKAX-GFCCVEGCSA-N 0 3 197.322 2.058 10 30 AEEEHN CC#CCN[C@@H]1C[C@@]1(C)C(C)C 307124733 572378823 /nfs/dbraw/zinc/37/88/23/572378823.db2.gz RZPZRSYVXGPSHC-MNOVXSKESA-N 0 3 165.280 2.034 10 30 AEEEHN C#CCN[C@H](C)c1csc(C)c1 307143087 572380478 /nfs/dbraw/zinc/38/04/78/572380478.db2.gz KOHQCWYRWPYQIR-SECBINFHSA-N 0 3 179.288 2.340 10 30 AEEEHN CCC[C@@](C)(C=O)N1CCCCC1 238222848 572381198 /nfs/dbraw/zinc/38/11/98/572381198.db2.gz BQDNZKBPHYSEFE-NSHDSACASA-N 0 3 183.295 2.230 10 30 AEEEHN CCCCCCCOC1=NCCCN1 238224581 572382256 /nfs/dbraw/zinc/38/22/56/572382256.db2.gz RRIODCNOPWVHOG-UHFFFAOYSA-N 0 3 198.310 2.323 10 30 AEEEHN CCC(CC)N1CCCC[C@H]1C=O 87173799 572384371 /nfs/dbraw/zinc/38/43/71/572384371.db2.gz LKARZMWWUIBXNA-NSHDSACASA-N 0 3 183.295 2.228 10 30 AEEEHN CCC(CC)N1CCCC[C@@H]1C=O 87173797 572385105 /nfs/dbraw/zinc/38/51/05/572385105.db2.gz LKARZMWWUIBXNA-LLVKDONJSA-N 0 3 183.295 2.228 10 30 AEEEHN CC#CCN1CCCC2(CCC2)C1 307160127 572389182 /nfs/dbraw/zinc/38/91/82/572389182.db2.gz JQYXXGHEULRUPO-UHFFFAOYSA-N 0 3 177.291 2.276 10 30 AEEEHN C=C(CN1CCCC[C@@H]1C)OC 307105830 572390091 /nfs/dbraw/zinc/39/00/91/572390091.db2.gz XVOKHLHSVDRLTE-VIFPVBQESA-N 0 3 169.268 2.021 10 30 AEEEHN OCCC/N=C/CCc1ccccc1 238684058 572390153 /nfs/dbraw/zinc/39/01/53/572390153.db2.gz XVXACSKWLBABEN-UKTHLTGXSA-N 0 3 191.274 2.072 10 30 AEEEHN CCCCCC[C@H]1CC(C=O)C(=O)O1 238226950 572391185 /nfs/dbraw/zinc/39/11/85/572391185.db2.gz ONBJZHHBCOJZKZ-UWVGGRQHSA-N 0 3 198.262 2.087 10 30 AEEEHN CCCC[C@@H](C=O)NC(C)(C)C 238228612 572393630 /nfs/dbraw/zinc/39/36/30/572393630.db2.gz BXWXKPJIEUQDDC-VIFPVBQESA-N 0 3 171.284 2.132 10 30 AEEEHN CCCCCC[C@H]1CC(C=O)C(=O)O1 238227234 572393751 /nfs/dbraw/zinc/39/37/51/572393751.db2.gz ONBJZHHBCOJZKZ-ZJUUUORDSA-N 0 3 198.262 2.087 10 30 AEEEHN C#CC[C@@H](NC)c1sc(C)nc1C 234437868 572394336 /nfs/dbraw/zinc/39/43/36/572394336.db2.gz FZRRZJMCCBOMIC-SECBINFHSA-N 0 3 194.303 2.044 10 30 AEEEHN C#CC[C@H](NC)c1ccc(Cl)o1 234435207 572401895 /nfs/dbraw/zinc/40/18/95/572401895.db2.gz XDYQIMPDLFIPAO-ZETCQYMHSA-N 0 3 183.638 2.217 10 30 AEEEHN C#CC[C@H](NC)c1sc(C)nc1C 234436017 572402078 /nfs/dbraw/zinc/40/20/78/572402078.db2.gz FZRRZJMCCBOMIC-VIFPVBQESA-N 0 3 194.303 2.044 10 30 AEEEHN Cc1ccc(C#C[C@H](N)C(C)C)cc1 300963761 572405830 /nfs/dbraw/zinc/40/58/30/572405830.db2.gz RHRNVNPBYZMQMQ-ZDUSSCGKSA-N 0 3 187.286 2.330 10 30 AEEEHN C=CC(C)(C)CNc1cccc(N)n1 307245245 572408738 /nfs/dbraw/zinc/40/87/38/572408738.db2.gz LZKAXESIWGINLQ-UHFFFAOYSA-N 0 3 191.278 2.288 10 30 AEEEHN C#CC[C@@H](NC)c1ccc(Cl)o1 234437232 572410406 /nfs/dbraw/zinc/41/04/06/572410406.db2.gz XDYQIMPDLFIPAO-SSDOTTSWSA-N 0 3 183.638 2.217 10 30 AEEEHN C#CCN1CCC[C@H](SC(C)C)C1 307210600 572410463 /nfs/dbraw/zinc/41/04/63/572410463.db2.gz MNEXWXWQCAYDAH-NSHDSACASA-N 0 3 197.347 2.226 10 30 AEEEHN CC#CC[C@H](NC)c1ccnc(C)c1 234438649 572411849 /nfs/dbraw/zinc/41/18/49/572411849.db2.gz DHMDXZKEZGIMIV-LBPRGKRZSA-N 0 3 188.274 2.064 10 30 AEEEHN Cc1cscc1CNCCCC#N 87310676 572414359 /nfs/dbraw/zinc/41/43/59/572414359.db2.gz JXKPLUINHVFAIP-UHFFFAOYSA-N 0 3 194.303 2.450 10 30 AEEEHN CC#CC[C@H](NC)c1cnc(C)s1 234438872 572414880 /nfs/dbraw/zinc/41/48/80/572414880.db2.gz GLSWLJMUIKQBFH-VIFPVBQESA-N 0 3 194.303 2.125 10 30 AEEEHN CCCC[C@H](C=O)NC(C)(C)C 238793921 572415000 /nfs/dbraw/zinc/41/50/00/572415000.db2.gz BXWXKPJIEUQDDC-SECBINFHSA-N 0 3 171.284 2.132 10 30 AEEEHN C=CC[C@@H](C=C=CN(CC)CC)CO 238236382 572415056 /nfs/dbraw/zinc/41/50/56/572415056.db2.gz CIHHKKGVGDYOJF-LRUBCLLZSA-N 0 3 195.306 2.182 10 30 AEEEHN C=C(Cl)CNCCCSC 69001399 572415093 /nfs/dbraw/zinc/41/50/93/572415093.db2.gz GESRWVGIZVIYDT-UHFFFAOYSA-N 0 3 179.716 2.082 10 30 AEEEHN C=CC[C@H](C=C=CN(CC)CC)CO 238236399 572415273 /nfs/dbraw/zinc/41/52/73/572415273.db2.gz CIHHKKGVGDYOJF-RKSKCOGQSA-N 0 3 195.306 2.182 10 30 AEEEHN C#C/C=C/CC[C@]1(C)NCCS1 307290278 572416009 /nfs/dbraw/zinc/41/60/09/572416009.db2.gz BJJJPUOJJARABI-ORAHPGNNSA-N 0 3 181.304 2.009 10 30 AEEEHN C=C(Cl)CNC[C@@H](C)CSC 69011461 572416816 /nfs/dbraw/zinc/41/68/16/572416816.db2.gz DNDAFQPHWUAOCR-SSDOTTSWSA-N 0 3 193.743 2.328 10 30 AEEEHN CC#CC[C@@H](NC)c1cnc(C)s1 234440128 572418054 /nfs/dbraw/zinc/41/80/54/572418054.db2.gz GLSWLJMUIKQBFH-SECBINFHSA-N 0 3 194.303 2.125 10 30 AEEEHN CC#CCNCc1sccc1CC 87310548 572418158 /nfs/dbraw/zinc/41/81/58/572418158.db2.gz CKUOHYXGRRNMQW-UHFFFAOYSA-N 0 3 193.315 2.423 10 30 AEEEHN C#CCNCc1sccc1CC 87308960 572418278 /nfs/dbraw/zinc/41/82/78/572418278.db2.gz WXXGCFVJWOVQAB-UHFFFAOYSA-N 0 3 179.288 2.033 10 30 AEEEHN C#CCCNCc1cscc1C 87310600 572418400 /nfs/dbraw/zinc/41/84/00/572418400.db2.gz ANAGBPXRPXPJOW-UHFFFAOYSA-N 0 3 179.288 2.169 10 30 AEEEHN CC#CC[C@@H](NC)c1ccnc(C)c1 234439973 572419692 /nfs/dbraw/zinc/41/96/92/572419692.db2.gz DHMDXZKEZGIMIV-GFCCVEGCSA-N 0 3 188.274 2.064 10 30 AEEEHN CCCC[C@H](C)NC(C)(C)C=O 238796928 572419698 /nfs/dbraw/zinc/41/96/98/572419698.db2.gz CFODBXOJASNFPD-VIFPVBQESA-N 0 3 171.284 2.132 10 30 AEEEHN C=C(CC)C[C@H](NC)c1ncc[nH]1 87341757 572419870 /nfs/dbraw/zinc/41/98/70/572419870.db2.gz SCNIBFLTZSIHIO-VIFPVBQESA-N 0 3 179.267 2.027 10 30 AEEEHN CCCC[C@H](C=O)N(CC)CC 238797306 572420174 /nfs/dbraw/zinc/42/01/74/572420174.db2.gz ZXQZUCYLNIECHE-SNVBAGLBSA-N 0 3 171.284 2.086 10 30 AEEEHN C=C(CC)C[C@H](NCC)c1ncc[nH]1 87342145 572421354 /nfs/dbraw/zinc/42/13/54/572421354.db2.gz LMPRPOCHWVHYCT-JTQLQIEISA-N 0 3 193.294 2.417 10 30 AEEEHN C=CCC[C@@H](NCC)c1ncc[nH]1 87342003 572422395 /nfs/dbraw/zinc/42/23/95/572422395.db2.gz ARMCSNPBGBMBDE-SECBINFHSA-N 0 3 179.267 2.027 10 30 AEEEHN C=C(C)CCN1CCC(=O)[C@@H](C)[C@@H]1C 307216897 572423060 /nfs/dbraw/zinc/42/30/60/572423060.db2.gz FQDSRTWFQAJIMA-QWRGUYRKSA-N 0 3 195.306 2.252 10 30 AEEEHN C=C(C)CCN1CCC(=O)[C@H](C)[C@@H]1C 307216894 572425501 /nfs/dbraw/zinc/42/55/01/572425501.db2.gz FQDSRTWFQAJIMA-MNOVXSKESA-N 0 3 195.306 2.252 10 30 AEEEHN CC(C)(C)NCC#C[Si](C)(C)C 196625961 572425580 /nfs/dbraw/zinc/42/55/80/572425580.db2.gz PQNLWROYLDGBIX-UHFFFAOYSA-N 0 3 183.371 2.255 10 30 AEEEHN C#CCN(C)[C@@H]1/C=C/CCCCC1 307215657 572427132 /nfs/dbraw/zinc/42/71/32/572427132.db2.gz BFSHSUSLISHYLV-YPUOHESYSA-N 0 3 177.291 2.440 10 30 AEEEHN C/C=C/CNCC#CC(C)(C)C 307245002 572427577 /nfs/dbraw/zinc/42/75/77/572427577.db2.gz LYZVHGKIRZKIEH-AATRIKPKSA-N 0 3 165.280 2.202 10 30 AEEEHN C=C(C)CCN1CCC(=O)[C@H](C)[C@H]1C 307216891 572427993 /nfs/dbraw/zinc/42/79/93/572427993.db2.gz FQDSRTWFQAJIMA-GHMZBOCLSA-N 0 3 195.306 2.252 10 30 AEEEHN C#C/C=C/CC[C@@]1(C)NCCS1 307290282 572429300 /nfs/dbraw/zinc/42/93/00/572429300.db2.gz BJJJPUOJJARABI-YEZKRMTDSA-N 0 3 181.304 2.009 10 30 AEEEHN C=C(C)CCN1CCC(=O)[C@@H](C)[C@H]1C 307216899 572429873 /nfs/dbraw/zinc/42/98/73/572429873.db2.gz FQDSRTWFQAJIMA-WDEREUQCSA-N 0 3 195.306 2.252 10 30 AEEEHN CCCCCCCn1cncc1N 238238740 572430084 /nfs/dbraw/zinc/43/00/84/572430084.db2.gz PAQJPQFUQGRHLX-UHFFFAOYSA-N 0 3 181.283 2.436 10 30 AEEEHN C#C/C=C/NCCCCCC 238239579 572439720 /nfs/dbraw/zinc/43/97/20/572439720.db2.gz NESLPIOYRFXRFW-RMKNXTFCSA-N 0 3 151.253 2.303 10 30 AEEEHN C[C@@H](C#N)CNCC(C1CC1)C1CC1 83894985 572442743 /nfs/dbraw/zinc/44/27/43/572442743.db2.gz ODDOQKSVIPGVCD-VIFPVBQESA-N 0 3 192.306 2.172 10 30 AEEEHN C[C@H](C#N)CNCC(C1CC1)C1CC1 83894984 572443470 /nfs/dbraw/zinc/44/34/70/572443470.db2.gz ODDOQKSVIPGVCD-SECBINFHSA-N 0 3 192.306 2.172 10 30 AEEEHN C[C@@H](CC#N)NCC(C1CC1)C1CC1 83895103 572444143 /nfs/dbraw/zinc/44/41/43/572444143.db2.gz SXRJFDZYMGMCJC-VIFPVBQESA-N 0 3 192.306 2.314 10 30 AEEEHN CCCN(CCC)C(C)(C)C=O 238241195 572444740 /nfs/dbraw/zinc/44/47/40/572444740.db2.gz QKQUUHCQNSTKIU-UHFFFAOYSA-N 0 3 171.284 2.086 10 30 AEEEHN C[C@H](CC#N)NCC(C1CC1)C1CC1 83895104 572444768 /nfs/dbraw/zinc/44/47/68/572444768.db2.gz SXRJFDZYMGMCJC-SECBINFHSA-N 0 3 192.306 2.314 10 30 AEEEHN CC(C)(C#N)CN1CCC2(CC1)CC2 687828440 572445630 /nfs/dbraw/zinc/44/56/30/572445630.db2.gz CAEFONFDYYRPPL-UHFFFAOYSA-N 0 3 192.306 2.412 10 30 AEEEHN CC(C)(C#N)CN1CCC[C@@H]1C1CC1 687828456 572446329 /nfs/dbraw/zinc/44/63/29/572446329.db2.gz YLLLSNOJDLHPDL-LLVKDONJSA-N 0 3 192.306 2.411 10 30 AEEEHN CC(C)(C#N)CN1CCC[C@H]1C1CC1 687828457 572447609 /nfs/dbraw/zinc/44/76/09/572447609.db2.gz YLLLSNOJDLHPDL-NSHDSACASA-N 0 3 192.306 2.411 10 30 AEEEHN Cc1ccc(C#C[C@@H](N)C(C)C)cc1 300963758 572448351 /nfs/dbraw/zinc/44/83/51/572448351.db2.gz RHRNVNPBYZMQMQ-CYBMUJFWSA-N 0 3 187.286 2.330 10 30 AEEEHN C#CC[C@H](C)NCc1ccc(Cl)o1 127412523 572450232 /nfs/dbraw/zinc/45/02/32/572450232.db2.gz CMNOWJXCCZNOBL-QMMMGPOBSA-N 0 3 197.665 2.434 10 30 AEEEHN C#CC[C@@H](C)NCc1ccc(Cl)o1 127412761 572450318 /nfs/dbraw/zinc/45/03/18/572450318.db2.gz CMNOWJXCCZNOBL-MRVPVSSYSA-N 0 3 197.665 2.434 10 30 AEEEHN CCCCN[C@H](C=O)CC(C)(C)C 238243745 572450898 /nfs/dbraw/zinc/45/08/98/572450898.db2.gz LCQYOZGWJDVEMY-JTQLQIEISA-N 0 3 185.311 2.380 10 30 AEEEHN CCC/N=C(/NCCC)OC(C)C 238244962 572453175 /nfs/dbraw/zinc/45/31/75/572453175.db2.gz CWTAJPPMXKJHLE-UHFFFAOYSA-N 0 3 186.299 2.177 10 30 AEEEHN Cc1cccc(N2CCCC2=N)c1C#N 235923325 572453606 /nfs/dbraw/zinc/45/36/06/572453606.db2.gz GTLQXWNNGWHZAR-UHFFFAOYSA-N 0 3 199.257 2.444 10 30 AEEEHN CCCCC[C@](C)(O)C#CC(C)(C)N 238245014 572454205 /nfs/dbraw/zinc/45/42/05/572454205.db2.gz GWLHCEIWFSDKAX-LBPRGKRZSA-N 0 3 197.322 2.058 10 30 AEEEHN CC(C)N(CCC#N)CCC1CC1 83926678 572456167 /nfs/dbraw/zinc/45/61/67/572456167.db2.gz MAJUGFZXPSUGRX-UHFFFAOYSA-N 0 3 180.295 2.411 10 30 AEEEHN C#C[C@H](CS[C@H](C)CC)NCC 83947622 572463216 /nfs/dbraw/zinc/46/32/16/572463216.db2.gz VJIIQRRTDRJUII-NXEZZACHSA-N 0 3 185.336 2.129 10 30 AEEEHN CC[NH2+]C[C@H]([S-])c1ccccc1 238255276 572458710 /nfs/dbraw/zinc/45/87/10/572458710.db2.gz VQTDFFGZZMJRKM-JTQLQIEISA-N 0 3 181.304 2.267 10 30 AEEEHN CCCC[C@@H](C=O)N(CC)CC 238255881 572460820 /nfs/dbraw/zinc/46/08/20/572460820.db2.gz ZXQZUCYLNIECHE-JTQLQIEISA-N 0 3 171.284 2.086 10 30 AEEEHN C=C[C@@H](NC)c1ccccc1OC 83944728 572460842 /nfs/dbraw/zinc/46/08/42/572460842.db2.gz ZAAIJDVBZNIBJC-SNVBAGLBSA-N 0 3 177.247 2.142 10 30 AEEEHN CCN(CC)[C@H](C=O)CC(C)(C)C 238255951 572460010 /nfs/dbraw/zinc/46/00/10/572460010.db2.gz MHNQFUVVFKDRCQ-JTQLQIEISA-N 0 3 185.311 2.332 10 30 AEEEHN C=C[C@@H](NC)c1cccc(OC)c1 83944818 572460143 /nfs/dbraw/zinc/46/01/43/572460143.db2.gz GTVKAPSGCCWUQP-LLVKDONJSA-N 0 3 177.247 2.142 10 30 AEEEHN C=C[C@H](NC)c1cccc(OC)c1 83944816 572460555 /nfs/dbraw/zinc/46/05/55/572460555.db2.gz GTVKAPSGCCWUQP-NSHDSACASA-N 0 3 177.247 2.142 10 30 AEEEHN C=C[C@H](NC)c1ccc(OC)cc1 83944677 572460679 /nfs/dbraw/zinc/46/06/79/572460679.db2.gz XKGCWRDCZXZZJB-NSHDSACASA-N 0 3 177.247 2.142 10 30 AEEEHN C#C[C@H](NCCC)c1cccs1 83945020 572461202 /nfs/dbraw/zinc/46/12/02/572461202.db2.gz VLUDFSFFPXAQCR-VIFPVBQESA-N 0 3 179.288 2.422 10 30 AEEEHN C=C[C@H](NCCC)c1ccccn1 83945370 572461721 /nfs/dbraw/zinc/46/17/21/572461721.db2.gz DOQLKOBVXFMXQN-JTQLQIEISA-N 0 3 176.263 2.308 10 30 AEEEHN C#C[C@H](NCCC)c1ccsc1 83945440 572462166 /nfs/dbraw/zinc/46/21/66/572462166.db2.gz FHCGVBAVICTDMW-JTQLQIEISA-N 0 3 179.288 2.422 10 30 AEEEHN C#C[C@H](NCCC)c1ccccc1 83945637 572462349 /nfs/dbraw/zinc/46/23/49/572462349.db2.gz UXUKSSZUFNUMIL-LBPRGKRZSA-N 0 3 173.259 2.361 10 30 AEEEHN C#C[C@@H](CSC1CCCCC1)NC 83947657 572463236 /nfs/dbraw/zinc/46/32/36/572463236.db2.gz XJVHJADQWFEZHJ-JTQLQIEISA-N 0 3 197.347 2.274 10 30 AEEEHN C=C[C@@H](NCCC)c1ccncc1 83945417 572462544 /nfs/dbraw/zinc/46/25/44/572462544.db2.gz KRFPUOORASLTOJ-LLVKDONJSA-N 0 3 176.263 2.308 10 30 AEEEHN C#C[C@@H](NCCC)c1ccc(F)cc1 83944944 572462565 /nfs/dbraw/zinc/46/25/65/572462565.db2.gz NCJFSJGWTMUVJQ-GFCCVEGCSA-N 0 3 191.249 2.500 10 30 AEEEHN C#C[C@@H](NCCC)c1ccsc1 83945442 572462647 /nfs/dbraw/zinc/46/26/47/572462647.db2.gz FHCGVBAVICTDMW-SNVBAGLBSA-N 0 3 179.288 2.422 10 30 AEEEHN C=C[C@H](NCC)c1ncccc1C 83946560 572463076 /nfs/dbraw/zinc/46/30/76/572463076.db2.gz PDHHLLNOBHABRF-JTQLQIEISA-N 0 3 176.263 2.227 10 30 AEEEHN C#C[C@@H](CSC(C)(C)C)NCC 83947581 572463299 /nfs/dbraw/zinc/46/32/99/572463299.db2.gz KWXSQJMFEWRXFC-VIFPVBQESA-N 0 3 185.336 2.129 10 30 AEEEHN CCN(CC)[C@@H]1C=CC[C@H](C)[C@@H]1C=O 238256524 572464061 /nfs/dbraw/zinc/46/40/61/572464061.db2.gz RULKCYXVPNXQST-SDDRHHMPSA-N 0 3 195.306 2.108 10 30 AEEEHN C#C[C@@H](N)C1(c2ccccc2)CCCC1 83947057 572463842 /nfs/dbraw/zinc/46/38/42/572463842.db2.gz XTVPDNYCAUYRAU-CYBMUJFWSA-N 0 3 199.297 2.459 10 30 AEEEHN C=C[C@H](NC)c1ccc2nccnc2c1 83947301 572463930 /nfs/dbraw/zinc/46/39/30/572463930.db2.gz UZWOKFUJPZDANI-JTQLQIEISA-N 0 3 199.257 2.076 10 30 AEEEHN C#C[C@@H](NC)C1(c2ccccc2)CCC1 83947049 572463940 /nfs/dbraw/zinc/46/39/40/572463940.db2.gz NPNGDAZJEMWBEW-CYBMUJFWSA-N 0 3 199.297 2.330 10 30 AEEEHN C=C[C@@H](NCC)c1cccc(C)n1 83947171 572464401 /nfs/dbraw/zinc/46/44/01/572464401.db2.gz QXQPVDHQRVEHLT-SNVBAGLBSA-N 0 3 176.263 2.227 10 30 AEEEHN C=C[C@@H](CC(F)(F)F)NCC 83946352 572464082 /nfs/dbraw/zinc/46/40/82/572464082.db2.gz IWTHZCNXQGHHEG-LURJTMIESA-N 0 3 167.174 2.103 10 30 AEEEHN C#C[C@@H](CS[C@H](C)CC)NCC 83947624 572464226 /nfs/dbraw/zinc/46/42/26/572464226.db2.gz VJIIQRRTDRJUII-ZJUUUORDSA-N 0 3 185.336 2.129 10 30 AEEEHN C#C[C@@H](NC)c1ccc2ncccc2c1 83947125 572464299 /nfs/dbraw/zinc/46/42/99/572464299.db2.gz LUSJFBOHVGGZGE-GFCCVEGCSA-N 0 3 196.253 2.129 10 30 AEEEHN C#C[C@H](CSC1CCCC1)NCC 83947644 572464392 /nfs/dbraw/zinc/46/43/92/572464392.db2.gz FMVBGBNKAPIANW-SNVBAGLBSA-N 0 3 197.347 2.274 10 30 AEEEHN C=C[C@H](NCC)c1cc(C)ccn1 83947230 572464454 /nfs/dbraw/zinc/46/44/54/572464454.db2.gz MCUCOYTUJJLMRX-JTQLQIEISA-N 0 3 176.263 2.227 10 30 AEEEHN C#C[C@H](CS[C@@H](C)CC)NCC 83947623 572464487 /nfs/dbraw/zinc/46/44/87/572464487.db2.gz VJIIQRRTDRJUII-VHSXEESVSA-N 0 3 185.336 2.129 10 30 AEEEHN C#C[C@H](NCC)C1(c2ccccc2)CC1 83947036 572464676 /nfs/dbraw/zinc/46/46/76/572464676.db2.gz DSHBUQXJQXWAEE-ZDUSSCGKSA-N 0 3 199.297 2.330 10 30 AEEEHN C#C[C@H](CSC1CCCCC1)NC 83947656 572464771 /nfs/dbraw/zinc/46/47/71/572464771.db2.gz XJVHJADQWFEZHJ-SNVBAGLBSA-N 0 3 197.347 2.274 10 30 AEEEHN C=C[C@H](NCC)c1cccc(C)n1 83947170 572464790 /nfs/dbraw/zinc/46/47/90/572464790.db2.gz QXQPVDHQRVEHLT-JTQLQIEISA-N 0 3 176.263 2.227 10 30 AEEEHN C=C[C@@H](NC)c1ccc2nccnc2c1 83947302 572464941 /nfs/dbraw/zinc/46/49/41/572464941.db2.gz UZWOKFUJPZDANI-SNVBAGLBSA-N 0 3 199.257 2.076 10 30 AEEEHN C[C@H](N[C@H]1CCC[C@@H]1C#N)C1(C)CC1 61891808 572464942 /nfs/dbraw/zinc/46/49/42/572464942.db2.gz WWQBEDLOQFJDEE-AXFHLTTASA-N 0 3 192.306 2.457 10 30 AEEEHN C#C[C@H](NC)C1(c2ccccc2)CCC1 83947048 572465093 /nfs/dbraw/zinc/46/50/93/572465093.db2.gz NPNGDAZJEMWBEW-ZDUSSCGKSA-N 0 3 199.297 2.330 10 30 AEEEHN C#C[C@@H](CSC1CCCC1)NCC 83947645 572465147 /nfs/dbraw/zinc/46/51/47/572465147.db2.gz FMVBGBNKAPIANW-JTQLQIEISA-N 0 3 197.347 2.274 10 30 AEEEHN C[C@H](N[C@@H]1CCC[C@@H]1C#N)C1(C)CC1 61891806 572465225 /nfs/dbraw/zinc/46/52/25/572465225.db2.gz WWQBEDLOQFJDEE-HBNTYKKESA-N 0 3 192.306 2.457 10 30 AEEEHN C=C[C@@H](NCC)c1ncccc1C 83946561 572465543 /nfs/dbraw/zinc/46/55/43/572465543.db2.gz PDHHLLNOBHABRF-SNVBAGLBSA-N 0 3 176.263 2.227 10 30 AEEEHN C#C[C@@H](CS[C@@H](C)CC)NCC 83947625 572465625 /nfs/dbraw/zinc/46/56/25/572465625.db2.gz VJIIQRRTDRJUII-UWVGGRQHSA-N 0 3 185.336 2.129 10 30 AEEEHN CCN(CC)[C@@H]1C=CC[C@@H](C)[C@@H]1C=O 238256515 572465784 /nfs/dbraw/zinc/46/57/84/572465784.db2.gz RULKCYXVPNXQST-GRYCIOLGSA-N 0 3 195.306 2.108 10 30 AEEEHN C#C[C@H](N)C1(c2ccccc2)CCCC1 83947056 572465838 /nfs/dbraw/zinc/46/58/38/572465838.db2.gz XTVPDNYCAUYRAU-ZDUSSCGKSA-N 0 3 199.297 2.459 10 30 AEEEHN C=C[C@H](CC(F)(F)F)NCCC 83946357 572465992 /nfs/dbraw/zinc/46/59/92/572465992.db2.gz KBXYPKBLIRXGEJ-SSDOTTSWSA-N 0 3 181.201 2.493 10 30 AEEEHN C=C(Cl)CN1CC[C@@H](C2CC2)C1 307361566 572467717 /nfs/dbraw/zinc/46/77/17/572467717.db2.gz FMKYOUVVAQJOCP-SNVBAGLBSA-N 0 3 185.698 2.471 10 30 AEEEHN C=C(C)CN1CCC(F)(F)CC1 307386269 572468814 /nfs/dbraw/zinc/46/88/14/572468814.db2.gz AKAKGKZIJOBMJP-UHFFFAOYSA-N 0 3 175.222 2.294 10 30 AEEEHN C=CCNCc1ccc(COC)cc1 83969366 572469162 /nfs/dbraw/zinc/46/91/62/572469162.db2.gz DTHYQDKVNSPGAP-UHFFFAOYSA-N 0 3 191.274 2.109 10 30 AEEEHN CCN(CC)[C@@H](C=O)CC(C)(C)C 238259113 572475124 /nfs/dbraw/zinc/47/51/24/572475124.db2.gz MHNQFUVVFKDRCQ-SNVBAGLBSA-N 0 3 185.311 2.332 10 30 AEEEHN C=C(CN1CCCCC1)[C@@H](O)CCC 238260251 572473456 /nfs/dbraw/zinc/47/34/56/572473456.db2.gz NWXUJDUCWXVUOY-LBPRGKRZSA-N 0 3 197.322 2.190 10 30 AEEEHN CC#CCNCc1csc(C)c1C 307395070 572475579 /nfs/dbraw/zinc/47/55/79/572475579.db2.gz OKPWSPGYQSQEQQ-UHFFFAOYSA-N 0 3 193.315 2.478 10 30 AEEEHN C=C(Cl)CN1CC[C@H](C2CC2)C1 307361565 572475802 /nfs/dbraw/zinc/47/58/02/572475802.db2.gz FMKYOUVVAQJOCP-JTQLQIEISA-N 0 3 185.698 2.471 10 30 AEEEHN CN1CC[C@H]([C@H](C#N)C2CCCC2)C1 250629492 572478867 /nfs/dbraw/zinc/47/88/67/572478867.db2.gz QUJJJSKSFPZBTG-NWDGAFQWSA-N 0 3 192.306 2.268 10 30 AEEEHN Cc1ccc(F)cc1N=CN(C)C 379417167 572480855 /nfs/dbraw/zinc/48/08/55/572480855.db2.gz UBFMAVAOEXTXEA-UHFFFAOYSA-N 0 3 180.226 2.356 10 30 AEEEHN CN1CCC[C@H]([C@H](C#N)C2CCC2)C1 250569829 572480970 /nfs/dbraw/zinc/48/09/70/572480970.db2.gz DSEKDKQNKHGCLG-NWDGAFQWSA-N 0 3 192.306 2.268 10 30 AEEEHN CN1CC[C@@H]([C@H](C#N)C2CCCC2)C1 250629494 572482474 /nfs/dbraw/zinc/48/24/74/572482474.db2.gz QUJJJSKSFPZBTG-VXGBXAGGSA-N 0 3 192.306 2.268 10 30 AEEEHN C=C[C@H](N)c1cccnc1OCCC 238267309 572489942 /nfs/dbraw/zinc/48/99/42/572489942.db2.gz GWPQLUOMGRILMZ-JTQLQIEISA-N 0 3 192.262 2.056 10 30 AEEEHN C=C[C@@H](N)c1cccnc1OCCC 238267445 572490764 /nfs/dbraw/zinc/49/07/64/572490764.db2.gz GWPQLUOMGRILMZ-SNVBAGLBSA-N 0 3 192.262 2.056 10 30 AEEEHN CC[C@H](N)c1[nH]c2ccccc2c1C#N 238266518 572491198 /nfs/dbraw/zinc/49/11/98/572491198.db2.gz KHTUGCDUWWATFI-JTQLQIEISA-N 0 3 199.257 2.449 10 30 AEEEHN CC[C@@H](CC#N)N[C@@H]1CC=CCC1 84067768 572492820 /nfs/dbraw/zinc/49/28/20/572492820.db2.gz XNUSEQWAKVQYMM-WDEREUQCSA-N 0 3 178.279 2.377 10 30 AEEEHN C=C(C)[C@@H](NC)c1cnc(C)s1 234458594 572492980 /nfs/dbraw/zinc/49/29/80/572492980.db2.gz KTKLLRQSPHMTEV-SECBINFHSA-N 0 3 182.292 2.288 10 30 AEEEHN C=C[C@H](C)N1CCS[C@H](CC)C1 307465266 572493297 /nfs/dbraw/zinc/49/32/97/572493297.db2.gz JLAZBMULMXDGLY-VHSXEESVSA-N 0 3 185.336 2.388 10 30 AEEEHN C=C(C)[C@@H](NC)c1ccnc(C)c1 234458420 572493893 /nfs/dbraw/zinc/49/38/93/572493893.db2.gz UTOHYCACJPZPPC-LLVKDONJSA-N 0 3 176.263 2.227 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1CC=CCC1 84067769 572494741 /nfs/dbraw/zinc/49/47/41/572494741.db2.gz XNUSEQWAKVQYMM-GHMZBOCLSA-N 0 3 178.279 2.377 10 30 AEEEHN CC[C@@H](CC#N)N[C@H]1CC=CCC1 84067765 572495945 /nfs/dbraw/zinc/49/59/45/572495945.db2.gz XNUSEQWAKVQYMM-QWRGUYRKSA-N 0 3 178.279 2.377 10 30 AEEEHN CC[C@H](CC#N)N[C@H]1CC=CCC1 84067766 572496139 /nfs/dbraw/zinc/49/61/39/572496139.db2.gz XNUSEQWAKVQYMM-MNOVXSKESA-N 0 3 178.279 2.377 10 30 AEEEHN C#C[C@H]1CCCN1Cc1ccccc1 307338926 572497717 /nfs/dbraw/zinc/49/77/17/572497717.db2.gz HPMYOKAHXYHKGB-ZDUSSCGKSA-N 0 3 185.270 2.284 10 30 AEEEHN C=C(C)CCNc1ccncc1 307492137 572501919 /nfs/dbraw/zinc/50/19/19/572501919.db2.gz QBRFEDFTGDCGKU-UHFFFAOYSA-N 0 3 162.236 2.460 10 30 AEEEHN C#C[C@H](CC)N[C@@H]1CCC(F)(F)C1 307411495 572501957 /nfs/dbraw/zinc/50/19/57/572501957.db2.gz RQSZRFUPDHJBTD-RKDXNWHRSA-N 0 3 187.233 2.176 10 30 AEEEHN CCN(CCC=O)Cc1ccccc1 62540479 572502417 /nfs/dbraw/zinc/50/24/17/572502417.db2.gz QLXRDRZJPDLUOX-UHFFFAOYSA-N 0 3 191.274 2.098 10 30 AEEEHN C[C@H](C#N)CNC1(C)CCCCC1 45045546 572502545 /nfs/dbraw/zinc/50/25/45/572502545.db2.gz IZDDHEPSGXIEGK-SNVBAGLBSA-N 0 3 180.295 2.458 10 30 AEEEHN C#C/C=C\NCCCC(C)C 307778042 572503473 /nfs/dbraw/zinc/50/34/73/572503473.db2.gz SITANVOHGBSSND-YVMONPNESA-N 0 3 151.253 2.159 10 30 AEEEHN C=C[C@@H](C)N1CCS[C@H](CC)C1 307465264 572503838 /nfs/dbraw/zinc/50/38/38/572503838.db2.gz JLAZBMULMXDGLY-NXEZZACHSA-N 0 3 185.336 2.388 10 30 AEEEHN C=CCNCc1sc(C)nc1C 84148908 572504102 /nfs/dbraw/zinc/50/41/02/572504102.db2.gz JJWORMRYIPIHNN-UHFFFAOYSA-N 0 3 182.292 2.036 10 30 AEEEHN CN1CCCCC[C@@H]1[C@H](C#N)C1CC1 250642680 572507486 /nfs/dbraw/zinc/50/74/86/572507486.db2.gz UHWYYFHFQXNIJM-VXGBXAGGSA-N 0 3 192.306 2.411 10 30 AEEEHN C=C[C@H](NC)c1ccc2c(n1)CCC2 307471774 572508017 /nfs/dbraw/zinc/50/80/17/572508017.db2.gz RVHYYRTYRPHHSO-JTQLQIEISA-N 0 3 188.274 2.017 10 30 AEEEHN CN1CCCCC[C@H]1[C@H](C#N)C1CC1 250642677 572508769 /nfs/dbraw/zinc/50/87/69/572508769.db2.gz UHWYYFHFQXNIJM-NEPJUHHUSA-N 0 3 192.306 2.411 10 30 AEEEHN C#C[C@H](CC)N[C@H]1CCC(F)(F)C1 307411461 572509699 /nfs/dbraw/zinc/50/96/99/572509699.db2.gz RQSZRFUPDHJBTD-BDAKNGLRSA-N 0 3 187.233 2.176 10 30 AEEEHN C#C[C@@H](C)N(C)CC=C1CCC1 307459185 572510651 /nfs/dbraw/zinc/51/06/51/572510651.db2.gz DPQZGCCCLHLCMD-SNVBAGLBSA-N 0 3 163.264 2.050 10 30 AEEEHN C#CC(C)(C)N(C)CC[C@@H](C)F 308046274 572510905 /nfs/dbraw/zinc/51/09/05/572510905.db2.gz POQOJPBLGZCOHL-SECBINFHSA-N 0 3 171.259 2.078 10 30 AEEEHN C#CC(C)(C)NCC1=CCCC1 307443330 572513399 /nfs/dbraw/zinc/51/33/99/572513399.db2.gz BNRCDJIANQRQEK-UHFFFAOYSA-N 0 3 163.264 2.098 10 30 AEEEHN C#CC(C)(C)N(C)CC[C@H](C)F 308046275 572513704 /nfs/dbraw/zinc/51/37/04/572513704.db2.gz POQOJPBLGZCOHL-VIFPVBQESA-N 0 3 171.259 2.078 10 30 AEEEHN C=C1CCCN(c2ccncc2)C1 307413136 572514559 /nfs/dbraw/zinc/51/45/59/572514559.db2.gz RSSQHMNSFDBECK-UHFFFAOYSA-N 0 3 174.247 2.238 10 30 AEEEHN C=C1CCCN(C/C=C/C)C1 307439526 572514846 /nfs/dbraw/zinc/51/48/46/572514846.db2.gz WTJVBXVWLXZHIF-ONEGZZNKSA-N 0 3 151.253 2.215 10 30 AEEEHN C[C@@H]1C[C@@H]1[C@@H](N)C#Cc1ccccc1 307446216 572516584 /nfs/dbraw/zinc/51/65/84/572516584.db2.gz WIGZFDNPWOQRBI-WXHSDQCUSA-N 0 3 185.270 2.021 10 30 AEEEHN C#C[C@@H](CC)N[C@H]1CCC(F)(F)C1 307411482 572516906 /nfs/dbraw/zinc/51/69/06/572516906.db2.gz RQSZRFUPDHJBTD-IUCAKERBSA-N 0 3 187.233 2.176 10 30 AEEEHN C[C@@H]1C[C@H]1[C@@H](N)C#Cc1ccccc1 307446215 572516909 /nfs/dbraw/zinc/51/69/09/572516909.db2.gz WIGZFDNPWOQRBI-RTXFEEFZSA-N 0 3 185.270 2.021 10 30 AEEEHN C=C[C@@H](C)N1CCC(=C)CC1 307422882 572516867 /nfs/dbraw/zinc/51/68/67/572516867.db2.gz NHQLBSXCWVRKMC-SNVBAGLBSA-N 0 3 151.253 2.213 10 30 AEEEHN C=C(Cl)CSCCN(C)C 307445078 572517814 /nfs/dbraw/zinc/51/78/14/572517814.db2.gz CBBCTPJFMCDDBR-UHFFFAOYSA-N 0 3 179.716 2.034 10 30 AEEEHN C#Cc1cccc(F)c1CNC(C)C 307483086 572519749 /nfs/dbraw/zinc/51/97/49/572519749.db2.gz SHMIRZVAYOWKSB-UHFFFAOYSA-N 0 3 191.249 2.305 10 30 AEEEHN CC[C@@H](N)c1[nH]c2ccccc2c1C#N 238287836 572520081 /nfs/dbraw/zinc/52/00/81/572520081.db2.gz KHTUGCDUWWATFI-SNVBAGLBSA-N 0 3 199.257 2.449 10 30 AEEEHN C=C[C@H](N)c1cc(F)ccc1OCC 238285110 572520524 /nfs/dbraw/zinc/52/05/24/572520524.db2.gz GZRMUNDMSXENTP-JTQLQIEISA-N 0 3 195.237 2.410 10 30 AEEEHN N#CC1CCc2c(F)cccc2C1=O 74276473 572525525 /nfs/dbraw/zinc/52/55/25/572525525.db2.gz YNHMWGPFYVEEIN-ZETCQYMHSA-N 0 3 189.189 2.094 10 30 AEEEHN N#CC1CCc2c(F)cccc2C1=O 74276470 572527804 /nfs/dbraw/zinc/52/78/04/572527804.db2.gz YNHMWGPFYVEEIN-SSDOTTSWSA-N 0 3 189.189 2.094 10 30 AEEEHN C[C@H](C=NO)N(C)CC1CCCCC1 714478588 572529979 /nfs/dbraw/zinc/52/99/79/572529979.db2.gz FAAZNNWSIDMNRP-SNVBAGLBSA-N 0 3 198.310 2.347 10 30 AEEEHN C=C[C@@H](NC)c1ccc2c(n1)CCC2 307471775 572530457 /nfs/dbraw/zinc/53/04/57/572530457.db2.gz RVHYYRTYRPHHSO-SNVBAGLBSA-N 0 3 188.274 2.017 10 30 AEEEHN C[C@@H](C=NO)N(C)CC1CCCCC1 714478575 572531032 /nfs/dbraw/zinc/53/10/32/572531032.db2.gz FAAZNNWSIDMNRP-JTQLQIEISA-N 0 3 198.310 2.347 10 30 AEEEHN C/C(=N/CCN(C)C)c1ccccc1 238293297 572532536 /nfs/dbraw/zinc/53/25/36/572532536.db2.gz FEDBJQZENFBFEG-QBFSEMIESA-N 0 3 190.290 2.057 10 30 AEEEHN C[C@@H]1C[C@@H]1[C@H](N)C#Cc1ccccc1 307446213 572531908 /nfs/dbraw/zinc/53/19/08/572531908.db2.gz WIGZFDNPWOQRBI-KGYLQXTDSA-N 0 3 185.270 2.021 10 30 AEEEHN CCc1cc(-n2cccc2C#N)ccn1 307792181 572537975 /nfs/dbraw/zinc/53/79/75/572537975.db2.gz HZEQJVJPJJYMHJ-UHFFFAOYSA-N 0 3 197.241 2.306 10 30 AEEEHN C=C(C)CN(C)C/C=C\C 307795150 572538355 /nfs/dbraw/zinc/53/83/55/572538355.db2.gz SVQOAQGDUJRCAP-WAYWQWQTSA-N 0 3 139.242 2.070 10 30 AEEEHN CC(C)C[C@H]1CCN(C(C)(C)C=O)C1 307795344 572538539 /nfs/dbraw/zinc/53/85/39/572538539.db2.gz UDXBZDHUMOYBRY-LLVKDONJSA-N 0 3 197.322 2.332 10 30 AEEEHN C#C[C@@](C)(CC)N[C@@](C)(C#C)CC 238296923 572539078 /nfs/dbraw/zinc/53/90/78/572539078.db2.gz TXJINXCQNLWYKK-RYUDHWBXSA-N 0 3 177.291 2.180 10 30 AEEEHN C#C[C@](C)(CC)N[C@@](C)(C#C)CC 238296881 572539501 /nfs/dbraw/zinc/53/95/01/572539501.db2.gz TXJINXCQNLWYKK-TXEJJXNPSA-N 0 3 177.291 2.180 10 30 AEEEHN C=C[C@@](O)(CC)[C@H](N)c1ccccc1 238298485 572540620 /nfs/dbraw/zinc/54/06/20/572540620.db2.gz GKVVBLDSCFHKFN-VXGBXAGGSA-N 0 3 191.274 2.014 10 30 AEEEHN C=C[C@@](O)(CC)[C@@H](N)c1ccccc1 238298462 572541550 /nfs/dbraw/zinc/54/15/50/572541550.db2.gz GKVVBLDSCFHKFN-NWDGAFQWSA-N 0 3 191.274 2.014 10 30 AEEEHN CCC#C[C@H](C)N1CCC[C@@H]2C[C@@H]21 307544224 572542513 /nfs/dbraw/zinc/54/25/13/572542513.db2.gz VQXZDAFUWMASAJ-TUAOUCFPSA-N 0 3 177.291 2.273 10 30 AEEEHN C=C[C@H](C)N1CCSC(C)(C)C1 307579213 572543591 /nfs/dbraw/zinc/54/35/91/572543591.db2.gz PFGFMJKNLREJBB-VIFPVBQESA-N 0 3 185.336 2.388 10 30 AEEEHN Cc1cc(F)cc(C)c1C#C[C@@H](C)N 235147242 572544144 /nfs/dbraw/zinc/54/41/44/572544144.db2.gz KEPOPIIXXOAMLZ-SNVBAGLBSA-N 0 3 191.249 2.141 10 30 AEEEHN CC#CCNCc1cc(C)cs1 307568331 572545128 /nfs/dbraw/zinc/54/51/28/572545128.db2.gz VUKWCTBBJJSGJO-UHFFFAOYSA-N 0 3 179.288 2.169 10 30 AEEEHN C=C[C@@H](N)c1cccnc1SCC 238308867 572547025 /nfs/dbraw/zinc/54/70/25/572547025.db2.gz CJROZHYFXIQPCJ-SECBINFHSA-N 0 3 194.303 2.379 10 30 AEEEHN C=C[C@H](C)N1CC[C@H](C(F)(F)F)C1 307574460 572547140 /nfs/dbraw/zinc/54/71/40/572547140.db2.gz HESKSAQYKBZZAW-YUMQZZPRSA-N 0 3 193.212 2.445 10 30 AEEEHN C#CCN(C)Cc1ccc2cc[nH]c2c1 238305791 572547979 /nfs/dbraw/zinc/54/79/79/572547979.db2.gz FHJFICGTNMILKB-UHFFFAOYSA-N 0 3 198.269 2.233 10 30 AEEEHN C=C[C@H](C)N1CC[C@@H](C(F)(F)F)C1 307574458 572548183 /nfs/dbraw/zinc/54/81/83/572548183.db2.gz HESKSAQYKBZZAW-JGVFFNPUSA-N 0 3 193.212 2.445 10 30 AEEEHN CCCC(C#N)C(=O)C1CCC1 84428166 572550970 /nfs/dbraw/zinc/55/09/70/572550970.db2.gz QAWZHGOCRPAAHY-SECBINFHSA-N 0 3 165.236 2.295 10 30 AEEEHN C=CCNC(/C=C/C)/C=C/C 307805291 572555148 /nfs/dbraw/zinc/55/51/48/572555148.db2.gz TZBCZFUWOMXHQC-NSLJXJERSA-N 0 3 151.253 2.283 10 30 AEEEHN CC(C)C[C@H](N)C#Cc1ccccc1 307535130 572560139 /nfs/dbraw/zinc/56/01/39/572560139.db2.gz QMHPIGVXDFHVQV-CYBMUJFWSA-N 0 3 187.286 2.412 10 30 AEEEHN CS[C@H](C)CN[C@@H]1CCC[C@H]1C#N 252730812 572561694 /nfs/dbraw/zinc/56/16/94/572561694.db2.gz NAADPRQVYLAPDK-KXUCPTDWSA-N 0 3 198.335 2.020 10 30 AEEEHN CS[C@H](C)CN[C@H]1CCC[C@H]1C#N 252730813 572562340 /nfs/dbraw/zinc/56/23/40/572562340.db2.gz NAADPRQVYLAPDK-UTLUCORTSA-N 0 3 198.335 2.020 10 30 AEEEHN C=C[C@@H](C)N1CC[C@@H](C(F)(F)F)C1 307574457 572562579 /nfs/dbraw/zinc/56/25/79/572562579.db2.gz HESKSAQYKBZZAW-HTQZYQBOSA-N 0 3 193.212 2.445 10 30 AEEEHN C[C@H](CC#N)NC[C@@H]1CC=CCC1 45630289 572562960 /nfs/dbraw/zinc/56/29/60/572562960.db2.gz CNXBDIOXMPGCLH-GHMZBOCLSA-N 0 3 178.279 2.234 10 30 AEEEHN C#Cc1ccc(F)cc1CNC1CC1 306174560 572566735 /nfs/dbraw/zinc/56/67/35/572566735.db2.gz GZGHBCYTBRGDRV-UHFFFAOYSA-N 0 3 189.233 2.059 10 30 AEEEHN C=CCCC[C@@H](N)c1cncs1 87573925 572566826 /nfs/dbraw/zinc/56/68/26/572566826.db2.gz HTJHVSJZLIFRMA-MRVPVSSYSA-N 0 3 182.292 2.499 10 30 AEEEHN C#CC(C)(C)NCc1cc(C)[nH]c1C 306187773 572568868 /nfs/dbraw/zinc/56/88/68/572568868.db2.gz FSDSAWXHXICZAT-UHFFFAOYSA-N 0 3 190.290 2.133 10 30 AEEEHN C=CCCC[C@H](N)c1cncs1 87573924 572567103 /nfs/dbraw/zinc/56/71/03/572567103.db2.gz HTJHVSJZLIFRMA-QMMMGPOBSA-N 0 3 182.292 2.499 10 30 AEEEHN CCC(C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564404 572568089 /nfs/dbraw/zinc/56/80/89/572568089.db2.gz KTLMQZRRKXPULU-HNJRMYHASA-N 0 3 177.247 2.151 10 30 AEEEHN CCC(C#N)C(=O)C1C[C@@H]2C[C@@H]2C1 87564401 572568807 /nfs/dbraw/zinc/56/88/07/572568807.db2.gz KTLMQZRRKXPULU-IZJGZUANSA-N 0 3 177.247 2.151 10 30 AEEEHN C#CC[C@@H](NCCC)c1cncs1 87574902 572570759 /nfs/dbraw/zinc/57/07/59/572570759.db2.gz KWHRRWVAZZJTHH-SECBINFHSA-N 0 3 194.303 2.207 10 30 AEEEHN C=C[C@@H]1CC[C@H](c2ccco2)N1 713726805 572570948 /nfs/dbraw/zinc/57/09/48/572570948.db2.gz JHBGGQQCPUDJMU-RKDXNWHRSA-N 0 3 163.220 2.259 10 30 AEEEHN C=C(C)C[C@@H](NC)c1cncs1 87574434 572571142 /nfs/dbraw/zinc/57/11/42/572571142.db2.gz UWCOIKYGJYEQFN-MRVPVSSYSA-N 0 3 182.292 2.370 10 30 AEEEHN CC#CC[C@H](NCC)c1cncs1 87574669 572571237 /nfs/dbraw/zinc/57/12/37/572571237.db2.gz DJNJHXFCZBQRSN-VIFPVBQESA-N 0 3 194.303 2.207 10 30 AEEEHN C#CC[C@H](NCCC)c1cncs1 87574901 572571278 /nfs/dbraw/zinc/57/12/78/572571278.db2.gz KWHRRWVAZZJTHH-VIFPVBQESA-N 0 3 194.303 2.207 10 30 AEEEHN CC#CC[C@@H](NCC)c1cncs1 87574670 572571489 /nfs/dbraw/zinc/57/14/89/572571489.db2.gz DJNJHXFCZBQRSN-SECBINFHSA-N 0 3 194.303 2.207 10 30 AEEEHN C=C(C)[C@@H](NCC)c1cncs1 87574595 572571602 /nfs/dbraw/zinc/57/16/02/572571602.db2.gz LNYPUQYSDGVCMJ-SECBINFHSA-N 0 3 182.292 2.370 10 30 AEEEHN C=C[C@H](NCCC)c1cncs1 87574833 572571644 /nfs/dbraw/zinc/57/16/44/572571644.db2.gz PTYWOXOUDKHWER-QMMMGPOBSA-N 0 3 182.292 2.370 10 30 AEEEHN C=C(C)C[C@H](NC)c1cncs1 87574433 572571874 /nfs/dbraw/zinc/57/18/74/572571874.db2.gz UWCOIKYGJYEQFN-QMMMGPOBSA-N 0 3 182.292 2.370 10 30 AEEEHN C=C[C@@H]1CC[C@@H](c2ccco2)N1 713726794 572571832 /nfs/dbraw/zinc/57/18/32/572571832.db2.gz JHBGGQQCPUDJMU-BDAKNGLRSA-N 0 3 163.220 2.259 10 30 AEEEHN C=C[C@H]1CC[C@@H](c2ccco2)N1 713726803 572571865 /nfs/dbraw/zinc/57/18/65/572571865.db2.gz JHBGGQQCPUDJMU-IUCAKERBSA-N 0 3 163.220 2.259 10 30 AEEEHN C=C[C@H](NC)c1cncc(Cl)c1 307544726 572572057 /nfs/dbraw/zinc/57/20/57/572572057.db2.gz IAEPWXSTAHARPH-VIFPVBQESA-N 0 3 182.654 2.182 10 30 AEEEHN C=C(C)[C@H](NCC)c1cncs1 87574596 572572218 /nfs/dbraw/zinc/57/22/18/572572218.db2.gz LNYPUQYSDGVCMJ-VIFPVBQESA-N 0 3 182.292 2.370 10 30 AEEEHN C=CC[C@@H](NCC)c1cncs1 87574642 572572640 /nfs/dbraw/zinc/57/26/40/572572640.db2.gz UEAPBYNMOIKHPM-MRVPVSSYSA-N 0 3 182.292 2.370 10 30 AEEEHN C=CC[C@H](NCC)c1cncs1 87574641 572572736 /nfs/dbraw/zinc/57/27/36/572572736.db2.gz UEAPBYNMOIKHPM-QMMMGPOBSA-N 0 3 182.292 2.370 10 30 AEEEHN C=C[C@@H](NCCC)c1cncs1 87574834 572572797 /nfs/dbraw/zinc/57/27/97/572572797.db2.gz PTYWOXOUDKHWER-MRVPVSSYSA-N 0 3 182.292 2.370 10 30 AEEEHN C#CCC[C@@H](NCC)c1cncs1 87574688 572573153 /nfs/dbraw/zinc/57/31/53/572573153.db2.gz JFWISCCCCBXPPW-SECBINFHSA-N 0 3 194.303 2.207 10 30 AEEEHN C=C(CC)C[C@@H](N)c1cncs1 87574162 572573259 /nfs/dbraw/zinc/57/32/59/572573259.db2.gz BKBNRXWYIGSPRK-MRVPVSSYSA-N 0 3 182.292 2.499 10 30 AEEEHN C=CC1CN(Cc2ccccc2)C1 307512351 572573333 /nfs/dbraw/zinc/57/33/33/572573333.db2.gz MNKPAMNGOQCPKC-UHFFFAOYSA-N 0 3 173.259 2.304 10 30 AEEEHN C=C[C@H]1CC[C@H](c2ccco2)N1 713726801 572573341 /nfs/dbraw/zinc/57/33/41/572573341.db2.gz JHBGGQQCPUDJMU-DTWKUNHWSA-N 0 3 163.220 2.259 10 30 AEEEHN C=CCC[C@H](NC)c1cncs1 87574335 572573894 /nfs/dbraw/zinc/57/38/94/572573894.db2.gz FDLHGKRIMMHQDD-QMMMGPOBSA-N 0 3 182.292 2.370 10 30 AEEEHN C#CCC[C@H](N)c1ccc(C)c(C)n1 306242384 572574877 /nfs/dbraw/zinc/57/48/77/572574877.db2.gz APQSKAGCBCWGCT-NSHDSACASA-N 0 3 188.274 2.112 10 30 AEEEHN C=CC[C@H](NC)C(=C)C(F)(F)F 308069384 572577758 /nfs/dbraw/zinc/57/77/58/572577758.db2.gz ASEVDLKOWGSNGA-ZETCQYMHSA-N 0 3 179.185 2.269 10 30 AEEEHN CCCN[C@@H](C)C#Cc1ccccc1 306218238 572579627 /nfs/dbraw/zinc/57/96/27/572579627.db2.gz RAEXBPONOFPEMC-LBPRGKRZSA-N 0 3 187.286 2.426 10 30 AEEEHN C=CC[C@@H](NC)C(=C)C(F)(F)F 308069382 572580087 /nfs/dbraw/zinc/58/00/87/572580087.db2.gz ASEVDLKOWGSNGA-SSDOTTSWSA-N 0 3 179.185 2.269 10 30 AEEEHN C=CC[C@H](N)c1ccc2c(n1)CCC2 306298249 572582543 /nfs/dbraw/zinc/58/25/43/572582543.db2.gz HJZSKZOOSWDEOZ-JTQLQIEISA-N 0 3 188.274 2.146 10 30 AEEEHN O=C(CNC1CC1)C1=CCCCCC1 236396597 572582723 /nfs/dbraw/zinc/58/27/23/572582723.db2.gz DGXCNGZTXAVEAS-UHFFFAOYSA-N 0 3 193.290 2.198 10 30 AEEEHN CC#CCN[C@H]1CS[C@@H](C(C)C)C1 306215923 572584014 /nfs/dbraw/zinc/58/40/14/572584014.db2.gz IRSYTWYOSQPYOJ-GHMZBOCLSA-N 0 3 197.347 2.129 10 30 AEEEHN C=C[C@@H](NC)c1cncc(Cl)c1 307544725 572584457 /nfs/dbraw/zinc/58/44/57/572584457.db2.gz IAEPWXSTAHARPH-SECBINFHSA-N 0 3 182.654 2.182 10 30 AEEEHN C#CCNC[C@H]1CCCCC1(F)F 307571035 572585358 /nfs/dbraw/zinc/58/53/58/572585358.db2.gz CTHLVUSPBRQFHU-SECBINFHSA-N 0 3 187.233 2.035 10 30 AEEEHN C#CCC[C@@H](N)c1ccc(C)c(C)n1 306242382 572585421 /nfs/dbraw/zinc/58/54/21/572585421.db2.gz APQSKAGCBCWGCT-LLVKDONJSA-N 0 3 188.274 2.112 10 30 AEEEHN CCCN[C@H](C)C#Cc1ccccc1 306218232 572587884 /nfs/dbraw/zinc/58/78/84/572587884.db2.gz RAEXBPONOFPEMC-GFCCVEGCSA-N 0 3 187.286 2.426 10 30 AEEEHN C=C(C)CN1CCCC[C@H](F)C1 306234360 572588871 /nfs/dbraw/zinc/58/88/71/572588871.db2.gz DBLYYYYDUHTMEF-JTQLQIEISA-N 0 3 171.259 2.387 10 30 AEEEHN C=C(C)CN1CCCC[C@@H](F)C1 306234362 572589166 /nfs/dbraw/zinc/58/91/66/572589166.db2.gz DBLYYYYDUHTMEF-SNVBAGLBSA-N 0 3 171.259 2.387 10 30 AEEEHN C#CC(C)(C)Nc1ccnc(CC)c1 306244595 572589942 /nfs/dbraw/zinc/58/99/42/572589942.db2.gz VCNUUMOJBBSWSS-UHFFFAOYSA-N 0 3 188.274 2.468 10 30 AEEEHN C=CCC[C@@H](NC)c1cscn1 87594754 572590536 /nfs/dbraw/zinc/59/05/36/572590536.db2.gz PNKNKUFUCJMHIR-MRVPVSSYSA-N 0 3 182.292 2.370 10 30 AEEEHN C#CCC[C@H](NCC)c1cscn1 87595360 572591067 /nfs/dbraw/zinc/59/10/67/572591067.db2.gz RYHFXFLXQDJSPR-VIFPVBQESA-N 0 3 194.303 2.207 10 30 AEEEHN C=CCCC[C@H](N)c1cscn1 87589584 572591189 /nfs/dbraw/zinc/59/11/89/572591189.db2.gz BJBRTWLQLOENNC-QMMMGPOBSA-N 0 3 182.292 2.499 10 30 AEEEHN C=C[C@@H](NC)c1ccc(C)c(C)n1 307553552 572591777 /nfs/dbraw/zinc/59/17/77/572591777.db2.gz VVALICXMFULCFG-SNVBAGLBSA-N 0 3 176.263 2.145 10 30 AEEEHN C=C(CC)C[C@H](N)c1cscn1 87594454 572591921 /nfs/dbraw/zinc/59/19/21/572591921.db2.gz WFEFTDRDKZOMCT-QMMMGPOBSA-N 0 3 182.292 2.499 10 30 AEEEHN C#C[C@H](NC(C)C)c1ccc(F)cc1 306241251 572591978 /nfs/dbraw/zinc/59/19/78/572591978.db2.gz HTTBNDFYTKUNJH-LBPRGKRZSA-N 0 3 191.249 2.498 10 30 AEEEHN C=C(C)CNC/C(C)=C\Cl 307835535 572592015 /nfs/dbraw/zinc/59/20/15/572592015.db2.gz OOHSQBOVUPBSCZ-YWEYNIOJSA-N 0 3 159.660 2.295 10 30 AEEEHN C=CCCC[C@@H](N)c1cscn1 87589585 572593397 /nfs/dbraw/zinc/59/33/97/572593397.db2.gz BJBRTWLQLOENNC-MRVPVSSYSA-N 0 3 182.292 2.499 10 30 AEEEHN CC#CCN[C@H]1CS[C@H](C(C)C)C1 306215924 572593927 /nfs/dbraw/zinc/59/39/27/572593927.db2.gz IRSYTWYOSQPYOJ-MNOVXSKESA-N 0 3 197.347 2.129 10 30 AEEEHN C=C(CC)C[C@@H](N)c1cscn1 87594456 572594321 /nfs/dbraw/zinc/59/43/21/572594321.db2.gz WFEFTDRDKZOMCT-MRVPVSSYSA-N 0 3 182.292 2.499 10 30 AEEEHN C=CCCNCC=C(Cl)Cl 403378099 572594644 /nfs/dbraw/zinc/59/46/44/572594644.db2.gz OCEXNRRCMUVHEW-UHFFFAOYSA-N 0 3 180.078 2.471 10 30 AEEEHN C=CCC[C@H](NC)c1cscn1 87594752 572594763 /nfs/dbraw/zinc/59/47/63/572594763.db2.gz PNKNKUFUCJMHIR-QMMMGPOBSA-N 0 3 182.292 2.370 10 30 AEEEHN CC#CCN[C@@H]1CS[C@H](C(C)C)C1 306215925 572595339 /nfs/dbraw/zinc/59/53/39/572595339.db2.gz IRSYTWYOSQPYOJ-QWRGUYRKSA-N 0 3 197.347 2.129 10 30 AEEEHN C=C(C)CN1C[C@H](C)OCC1(C)C 306297702 572596136 /nfs/dbraw/zinc/59/61/36/572596136.db2.gz XKXFUVVVQWWXRQ-JTQLQIEISA-N 0 3 183.295 2.062 10 30 AEEEHN C#C[C@@H](NCC)c1cc(C)cs1 307510880 572597038 /nfs/dbraw/zinc/59/70/38/572597038.db2.gz LBECQBRGHHIAKH-SECBINFHSA-N 0 3 179.288 2.340 10 30 AEEEHN C#CCN[C@H]1C[C@@H](C)c2ccccc21 306391384 572598541 /nfs/dbraw/zinc/59/85/41/572598541.db2.gz FMJWXUIHFUJYAL-MFKMUULPSA-N 0 3 185.270 2.458 10 30 AEEEHN C#CC[C@H](NC)c1sccc1F 306275696 572598650 /nfs/dbraw/zinc/59/86/50/572598650.db2.gz QYHHWSFGLJEBDT-QMMMGPOBSA-N 0 3 183.251 2.171 10 30 AEEEHN C=CC[C@H](N)c1cc(C)cc(C)n1 306349828 572600019 /nfs/dbraw/zinc/60/00/19/572600019.db2.gz KSPGWRMVRXAIKC-JTQLQIEISA-N 0 3 176.263 2.274 10 30 AEEEHN C=C(C)CN[C@@H]1Cc2ccccc21 306305219 572600661 /nfs/dbraw/zinc/60/06/61/572600661.db2.gz DTYZWCOJEQXDGV-GFCCVEGCSA-N 0 3 173.259 2.450 10 30 AEEEHN C=CCN(C)CC1(C(F)F)CC1 308071933 572600931 /nfs/dbraw/zinc/60/09/31/572600931.db2.gz BAJBOIPMTVKJCB-UHFFFAOYSA-N 0 3 175.222 2.150 10 30 AEEEHN C=CC[C@@H](N)c1nc(C)cs1 307524557 572601723 /nfs/dbraw/zinc/60/17/23/572601723.db2.gz DAUGOCWJQZXLIE-SSDOTTSWSA-N 0 3 168.265 2.027 10 30 AEEEHN C[C@H](N)[C@@](C)(F)C#Cc1ccccc1 306379927 572601900 /nfs/dbraw/zinc/60/19/00/572601900.db2.gz VBMFDMKSAZXJHR-JQWIXIFHSA-N 0 3 191.249 2.114 10 30 AEEEHN CCN[C@H](C#Cc1ccccc1)CC 306368079 572602619 /nfs/dbraw/zinc/60/26/19/572602619.db2.gz DKULADBCMBSHKZ-ZDUSSCGKSA-N 0 3 187.286 2.426 10 30 AEEEHN CCN[C@@H](C#Cc1ccccc1)CC 306368075 572604845 /nfs/dbraw/zinc/60/48/45/572604845.db2.gz DKULADBCMBSHKZ-CYBMUJFWSA-N 0 3 187.286 2.426 10 30 AEEEHN CC[C@@H](C)[C@@H](N)C#Cc1ccccc1 306379942 572605218 /nfs/dbraw/zinc/60/52/18/572605218.db2.gz VCCKDIQXESQTHB-YPMHNXCESA-N 0 3 187.286 2.412 10 30 AEEEHN C#CCNCc1ccc2occc2c1 306301234 572605356 /nfs/dbraw/zinc/60/53/56/572605356.db2.gz GFNCWWNUAUVOAL-UHFFFAOYSA-N 0 3 185.226 2.156 10 30 AEEEHN CN[C@@H](C#Cc1ccccc1)C1CC1 306367374 572605564 /nfs/dbraw/zinc/60/55/64/572605564.db2.gz CRGMCVHNYKGUDQ-ZDUSSCGKSA-N 0 3 185.270 2.036 10 30 AEEEHN C#CC[C@@H](NC)c1cccc(F)c1C 307574016 572606305 /nfs/dbraw/zinc/60/63/05/572606305.db2.gz HBPFSCGPJNAYCC-GFCCVEGCSA-N 0 3 191.249 2.418 10 30 AEEEHN C=C(C)CN[C@H]1Cc2ccccc21 306305220 572607048 /nfs/dbraw/zinc/60/70/48/572607048.db2.gz DTYZWCOJEQXDGV-LBPRGKRZSA-N 0 3 173.259 2.450 10 30 AEEEHN C#CC(C)(C)N(C)CC=C(C)C 306330149 572607453 /nfs/dbraw/zinc/60/74/53/572607453.db2.gz CEGGXQRIKRBAJD-UHFFFAOYSA-N 0 3 165.280 2.296 10 30 AEEEHN CCC#C[C@H](C)N1CCC[C@H]2C[C@H]21 307544205 572607512 /nfs/dbraw/zinc/60/75/12/572607512.db2.gz VQXZDAFUWMASAJ-SDDRHHMPSA-N 0 3 177.291 2.273 10 30 AEEEHN CC[C@H](C)[C@@H](N)C#Cc1ccccc1 306379939 572608191 /nfs/dbraw/zinc/60/81/91/572608191.db2.gz VCCKDIQXESQTHB-AAEUAGOBSA-N 0 3 187.286 2.412 10 30 AEEEHN C#CCN1CCC[C@@](C)(CC)C1 306364680 572608383 /nfs/dbraw/zinc/60/83/83/572608383.db2.gz DWYMSJMBOXHNJF-LLVKDONJSA-N 0 3 165.280 2.132 10 30 AEEEHN CC#CCNCc1ccsc1C 306363642 572608522 /nfs/dbraw/zinc/60/85/22/572608522.db2.gz YUVZURORJDGIRC-UHFFFAOYSA-N 0 3 179.288 2.169 10 30 AEEEHN C=CC[C@@H](N)c1cc(C)cc(C)n1 306349830 572611793 /nfs/dbraw/zinc/61/17/93/572611793.db2.gz KSPGWRMVRXAIKC-SNVBAGLBSA-N 0 3 176.263 2.274 10 30 AEEEHN O=C(CNCC1CC1)C1=CCCCC1 236400328 572610005 /nfs/dbraw/zinc/61/00/05/572610005.db2.gz MVEYUGHVDYNFGG-UHFFFAOYSA-N 0 3 193.290 2.056 10 30 AEEEHN C#CCN1CCC[C@](C)(CC)C1 306364685 572611316 /nfs/dbraw/zinc/61/13/16/572611316.db2.gz DWYMSJMBOXHNJF-NSHDSACASA-N 0 3 165.280 2.132 10 30 AEEEHN C#CC[C@H](NC)c1cccc(F)c1C 307574017 572611350 /nfs/dbraw/zinc/61/13/50/572611350.db2.gz HBPFSCGPJNAYCC-LBPRGKRZSA-N 0 3 191.249 2.418 10 30 AEEEHN CC1CCC(CN(C)[C@H](C)C=O)CC1 714513372 572612836 /nfs/dbraw/zinc/61/28/36/572612836.db2.gz ZSWRINSVIYSRMR-MOENNCHZSA-N 0 3 197.322 2.332 10 30 AEEEHN CC[C@@H]1CCCC[C@@H]1N(C)[C@@H](C)C=O 714513357 572613122 /nfs/dbraw/zinc/61/31/22/572613122.db2.gz ZMWHUUNLKFITSE-TUAOUCFPSA-N 0 3 197.322 2.474 10 30 AEEEHN C[C@@H](CC#N)NC[C@]1(C)CCCS1 87620253 572613336 /nfs/dbraw/zinc/61/33/36/572613336.db2.gz ZYOVBSBZAFPMOC-UWVGGRQHSA-N 0 3 198.335 2.164 10 30 AEEEHN CC[C@@H]1CCCC[C@H]1N(C)[C@@H](C)C=O 714513355 572613613 /nfs/dbraw/zinc/61/36/13/572613613.db2.gz ZMWHUUNLKFITSE-QJPTWQEYSA-N 0 3 197.322 2.474 10 30 AEEEHN C[C@H](CC#N)NC[C@]1(C)CCCS1 87620255 572615029 /nfs/dbraw/zinc/61/50/29/572615029.db2.gz ZYOVBSBZAFPMOC-ZJUUUORDSA-N 0 3 198.335 2.164 10 30 AEEEHN CC[C@@H]1CCCC[C@H]1N(C)[C@H](C)C=O 714513354 572613903 /nfs/dbraw/zinc/61/39/03/572613903.db2.gz ZMWHUUNLKFITSE-IJLUTSLNSA-N 0 3 197.322 2.474 10 30 AEEEHN CC1CCC(CN(C)[C@@H](C)C=O)CC1 714513370 572614417 /nfs/dbraw/zinc/61/44/17/572614417.db2.gz ZSWRINSVIYSRMR-CXQJBGSLSA-N 0 3 197.322 2.332 10 30 AEEEHN C#CC[C@H](NC)c1cncc(Cl)c1 306333337 572614745 /nfs/dbraw/zinc/61/47/45/572614745.db2.gz SWDILXWVGCRFQL-JTQLQIEISA-N 0 3 194.665 2.019 10 30 AEEEHN C#CCNCC(C)(C)c1cccs1 87619380 572614754 /nfs/dbraw/zinc/61/47/54/572614754.db2.gz QIXWFDNYDXYSJN-UHFFFAOYSA-N 0 3 193.315 2.249 10 30 AEEEHN C#CC[C@@H](NC)c1cncc(Cl)c1 306333339 572614875 /nfs/dbraw/zinc/61/48/75/572614875.db2.gz SWDILXWVGCRFQL-SNVBAGLBSA-N 0 3 194.665 2.019 10 30 AEEEHN C[C@@H](CC#N)NC[C@@]1(C)CCCS1 87620257 572614886 /nfs/dbraw/zinc/61/48/86/572614886.db2.gz ZYOVBSBZAFPMOC-VHSXEESVSA-N 0 3 198.335 2.164 10 30 AEEEHN CC[C@@H]1CCCC[C@@H]1N(C)[C@H](C)C=O 714513359 572615005 /nfs/dbraw/zinc/61/50/05/572615005.db2.gz ZMWHUUNLKFITSE-UTUOFQBUSA-N 0 3 197.322 2.474 10 30 AEEEHN C[C@@H](N)[C@@](C)(F)C#Cc1ccccc1 306379928 572615550 /nfs/dbraw/zinc/61/55/50/572615550.db2.gz VBMFDMKSAZXJHR-PWSUYJOCSA-N 0 3 191.249 2.114 10 30 AEEEHN CC[C@H](C)[C@H](N)C#Cc1ccccc1 306379941 572618514 /nfs/dbraw/zinc/61/85/14/572618514.db2.gz VCCKDIQXESQTHB-WCQYABFASA-N 0 3 187.286 2.412 10 30 AEEEHN CC#CCCN[C@H]1Cc2ccccc21 306366227 572618789 /nfs/dbraw/zinc/61/87/89/572618789.db2.gz DTWOWVFSVXKXQJ-ZDUSSCGKSA-N 0 3 185.270 2.287 10 30 AEEEHN CC#CCCN1CCC(F)(F)CC1 306306662 572619314 /nfs/dbraw/zinc/61/93/14/572619314.db2.gz FFEVLKHSLWCERB-UHFFFAOYSA-N 0 3 187.233 2.131 10 30 AEEEHN C[C@H](N)[C@](C)(F)C#Cc1ccccc1 306379926 572619508 /nfs/dbraw/zinc/61/95/08/572619508.db2.gz VBMFDMKSAZXJHR-CMPLNLGQSA-N 0 3 191.249 2.114 10 30 AEEEHN CN[C@H](C#Cc1ccccc1)C1CC1 306367373 572619677 /nfs/dbraw/zinc/61/96/77/572619677.db2.gz CRGMCVHNYKGUDQ-CYBMUJFWSA-N 0 3 185.270 2.036 10 30 AEEEHN C=CCN(CCF)C1CCCC1 308080023 572621901 /nfs/dbraw/zinc/62/19/01/572621901.db2.gz IDMNZWYBKCKOBA-UHFFFAOYSA-N 0 3 171.259 2.387 10 30 AEEEHN C=C[C@H](C)N1C[C@@H](C)OC[C@@H]1CC 307612681 572622062 /nfs/dbraw/zinc/62/20/62/572622062.db2.gz ITMJWIGCHQJNKA-AXFHLTTASA-N 0 3 183.295 2.060 10 30 AEEEHN C=CCN1C[C@@H]2[C@@H](CCC2(F)F)C1 306441616 572626609 /nfs/dbraw/zinc/62/66/09/572626609.db2.gz JJKQLSHUAHDVLN-DTWKUNHWSA-N 0 3 187.233 2.150 10 30 AEEEHN CC(C)C[C@@H](N)C#Cc1ccccc1 307535131 572628248 /nfs/dbraw/zinc/62/82/48/572628248.db2.gz QMHPIGVXDFHVQV-ZDUSSCGKSA-N 0 3 187.286 2.412 10 30 AEEEHN C#Cc1cccc(CNC2CC2)c1F 307598198 572628744 /nfs/dbraw/zinc/62/87/44/572628744.db2.gz PDSPJESUTQLEOA-UHFFFAOYSA-N 0 3 189.233 2.059 10 30 AEEEHN C=CCN1C[C@@H]2CCC(F)(F)[C@H]2C1 306441617 572628960 /nfs/dbraw/zinc/62/89/60/572628960.db2.gz JJKQLSHUAHDVLN-IUCAKERBSA-N 0 3 187.233 2.150 10 30 AEEEHN C#CCN[C@H]1CS[C@H](C(C)(C)C)C1 306485517 572629530 /nfs/dbraw/zinc/62/95/30/572629530.db2.gz IMXVBOMXGUBZLI-ZJUUUORDSA-N 0 3 197.347 2.129 10 30 AEEEHN C=C(Cl)CN1C[C@H]2CCC[C@@H]2C1 306491835 572631365 /nfs/dbraw/zinc/63/13/65/572631365.db2.gz MYXIMENDMDSLSZ-NXEZZACHSA-N 0 3 185.698 2.471 10 30 AEEEHN CC(C)(C)[C@H](N)C#Cc1ccccc1 306401217 572631540 /nfs/dbraw/zinc/63/15/40/572631540.db2.gz BRMXYKHQRCNMLZ-GFCCVEGCSA-N 0 3 187.286 2.412 10 30 AEEEHN CCCCCCNC[C@@H](C)C#N 47979821 572633569 /nfs/dbraw/zinc/63/35/69/572633569.db2.gz RLKNQLOMJNFIKQ-JTQLQIEISA-N 0 3 168.284 2.316 10 30 AEEEHN C=CCN1C[C@H]2CCC(F)(F)[C@H]2C1 306441615 572634398 /nfs/dbraw/zinc/63/43/98/572634398.db2.gz JJKQLSHUAHDVLN-BDAKNGLRSA-N 0 3 187.233 2.150 10 30 AEEEHN C=C[C@H](N)c1ccc2cccc(N)c2n1 714116203 572637749 /nfs/dbraw/zinc/63/77/49/572637749.db2.gz QZEBCAIAMDTTRL-VIFPVBQESA-N 0 3 199.257 2.003 10 30 AEEEHN C=C[C@@H](N)c1ccc2cccc(N)c2n1 714116201 572637558 /nfs/dbraw/zinc/63/75/58/572637558.db2.gz QZEBCAIAMDTTRL-SECBINFHSA-N 0 3 199.257 2.003 10 30 AEEEHN C#CC(C)(C)N(C)CC=C1CCC1 306477732 572638605 /nfs/dbraw/zinc/63/86/05/572638605.db2.gz ARXBPKJNFRRGQO-UHFFFAOYSA-N 0 3 177.291 2.440 10 30 AEEEHN CC[C@H](C)N(C)[C@@H](C)CC#N 48246728 572639287 /nfs/dbraw/zinc/63/92/87/572639287.db2.gz NCHFXHKYHOATQS-IUCAKERBSA-N 0 3 154.257 2.019 10 30 AEEEHN C=C(CC)C[C@@H](NC)c1cnn(C)c1 85063942 572639595 /nfs/dbraw/zinc/63/95/95/572639595.db2.gz ASJPUQOLKJHGCT-LLVKDONJSA-N 0 3 193.294 2.037 10 30 AEEEHN C[C@H]1C[C@@H](C)CN([C@@H](C)CC#N)C1 48208938 572639656 /nfs/dbraw/zinc/63/96/56/572639656.db2.gz SIZKCLJSTMOUNE-AXFHLTTASA-N 0 3 180.295 2.266 10 30 AEEEHN C=C(CC)C[C@H](NC)c1ccn(C)n1 85063964 572640024 /nfs/dbraw/zinc/64/00/24/572640024.db2.gz VPXDHVTXZMZRSW-NSHDSACASA-N 0 3 193.294 2.037 10 30 AEEEHN C=C(CC)C[C@@H](NC)c1ccn(C)n1 85063967 572640102 /nfs/dbraw/zinc/64/01/02/572640102.db2.gz VPXDHVTXZMZRSW-LLVKDONJSA-N 0 3 193.294 2.037 10 30 AEEEHN C=C(CC)COc1ccccc1CN 85056658 572640327 /nfs/dbraw/zinc/64/03/27/572640327.db2.gz INXZCEANFHNMEH-UHFFFAOYSA-N 0 3 191.274 2.490 10 30 AEEEHN C=C(CC)C[C@H](NC)c1cnn(C)c1 85063939 572640446 /nfs/dbraw/zinc/64/04/46/572640446.db2.gz ASJPUQOLKJHGCT-NSHDSACASA-N 0 3 193.294 2.037 10 30 AEEEHN C[C@H](CC#N)N1CCCCCC1 48208883 572640627 /nfs/dbraw/zinc/64/06/27/572640627.db2.gz VEIQFAVKGHVAAD-SNVBAGLBSA-N 0 3 166.268 2.165 10 30 AEEEHN CC[C@@H]1CCCN([C@@H](C)CC#N)C1 48246863 572640767 /nfs/dbraw/zinc/64/07/67/572640767.db2.gz PJZDQKIHPNFOBL-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@H]1CCCN([C@@H](C)CC#N)C1 48246866 572641045 /nfs/dbraw/zinc/64/10/45/572641045.db2.gz PJZDQKIHPNFOBL-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN C=CC[C@H](N)c1c(Cl)cnn1CC 124756900 572641640 /nfs/dbraw/zinc/64/16/40/572641640.db2.gz FXUJSSWMRBZZFJ-QMMMGPOBSA-N 0 3 199.685 2.132 10 30 AEEEHN CC[C@@H](C)N(C)[C@@H](C)CC#N 48246725 572641749 /nfs/dbraw/zinc/64/17/49/572641749.db2.gz NCHFXHKYHOATQS-BDAKNGLRSA-N 0 3 154.257 2.019 10 30 AEEEHN C[C@@H](CC#N)N1C[C@H](C)C[C@@H](C)C1 48208943 572642027 /nfs/dbraw/zinc/64/20/27/572642027.db2.gz SIZKCLJSTMOUNE-MXWKQRLJSA-N 0 3 180.295 2.266 10 30 AEEEHN C#CCN1C[C@@H]2CCCCCC[C@H]21 306455994 572642278 /nfs/dbraw/zinc/64/22/78/572642278.db2.gz RFLVUKYXNXFEEM-NWDGAFQWSA-N 0 3 177.291 2.274 10 30 AEEEHN C[C@@H](CC#N)N1CCC[C@@H](C)CC1 70158123 572648887 /nfs/dbraw/zinc/64/88/87/572648887.db2.gz KGIARZLFIHGLHF-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN C=C(CC)CN1CCC[C@H](C(C)=O)C1 85059147 572643442 /nfs/dbraw/zinc/64/34/42/572643442.db2.gz MBJXTBCWZAZOHY-LBPRGKRZSA-N 0 3 195.306 2.254 10 30 AEEEHN C=C(CC)CN1CCC(C(C)=O)CC1 85059152 572643792 /nfs/dbraw/zinc/64/37/92/572643792.db2.gz UAMVFXGLMJMWHE-UHFFFAOYSA-N 0 3 195.306 2.254 10 30 AEEEHN C#CCCCNC/C(Cl)=C/Cl 307851784 572645161 /nfs/dbraw/zinc/64/51/61/572645161.db2.gz AAYZODJIXYRVNP-VURMDHGXSA-N 0 3 192.089 2.308 10 30 AEEEHN C#CCN1C[C@H]2CCCCCC[C@H]21 306455996 572645363 /nfs/dbraw/zinc/64/53/63/572645363.db2.gz RFLVUKYXNXFEEM-VXGBXAGGSA-N 0 3 177.291 2.274 10 30 AEEEHN C#Cc1ccc(CNC2CC2)c(F)c1 306474310 572645401 /nfs/dbraw/zinc/64/54/01/572645401.db2.gz VZYSVJRPGLAZOK-UHFFFAOYSA-N 0 3 189.233 2.059 10 30 AEEEHN C=C(CC)CNCCC(F)(F)F 85058521 572645407 /nfs/dbraw/zinc/64/54/07/572645407.db2.gz MUHWAXNKTKXVQR-UHFFFAOYSA-N 0 3 181.201 2.495 10 30 AEEEHN C=C(CC)CN1CCC[C@@H](C(C)=O)C1 85059149 572645512 /nfs/dbraw/zinc/64/55/12/572645512.db2.gz MBJXTBCWZAZOHY-GFCCVEGCSA-N 0 3 195.306 2.254 10 30 AEEEHN C=C(CC)CNCc1cccc(C)n1 85058303 572645531 /nfs/dbraw/zinc/64/55/31/572645531.db2.gz ODZUIPXHIKHMMZ-UHFFFAOYSA-N 0 3 190.290 2.446 10 30 AEEEHN C=C(CC)C[C@@H](NC)c1cnccn1 85062676 572646791 /nfs/dbraw/zinc/64/67/91/572646791.db2.gz SZLZILGYRKFDMS-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN C[C@H]1CCCN([C@@H](C)CC#N)CC1 70158125 572646820 /nfs/dbraw/zinc/64/68/20/572646820.db2.gz KGIARZLFIHGLHF-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN C=C(CC)C[C@@H](N)c1ccccn1 85062146 572647048 /nfs/dbraw/zinc/64/70/48/572647048.db2.gz AVNJRMRJLCMYTJ-SNVBAGLBSA-N 0 3 176.263 2.438 10 30 AEEEHN C#CCN[C@@H]1CS[C@H](C(C)(C)C)C1 306485514 572647814 /nfs/dbraw/zinc/64/78/14/572647814.db2.gz IMXVBOMXGUBZLI-UWVGGRQHSA-N 0 3 197.347 2.129 10 30 AEEEHN CC[C@H](CC#N)NC[C@@H]1CCCS1 87669012 572647836 /nfs/dbraw/zinc/64/78/36/572647836.db2.gz DKJRGBSHOIKWII-ZJUUUORDSA-N 0 3 198.335 2.164 10 30 AEEEHN C=C(CC)C[C@H](NC)c1cnccn1 85062673 572648222 /nfs/dbraw/zinc/64/82/22/572648222.db2.gz SZLZILGYRKFDMS-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C#CC[C@H](C)NC/C(C)=C\Cl 307851840 572648500 /nfs/dbraw/zinc/64/85/00/572648500.db2.gz AFUZNWDSYBZPNE-XZLDQRQTSA-N 0 3 171.671 2.130 10 30 AEEEHN C=C(CC)C[C@@H](NC)c1ccncn1 85063495 572648631 /nfs/dbraw/zinc/64/86/31/572648631.db2.gz VNBVVURJMOCJRE-LLVKDONJSA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCN1C[C@H]2CCC(F)(F)[C@@H]2C1 306441618 572648690 /nfs/dbraw/zinc/64/86/90/572648690.db2.gz JJKQLSHUAHDVLN-RKDXNWHRSA-N 0 3 187.233 2.150 10 30 AEEEHN C=C(CC)C[C@H](N)c1ccccn1 85062142 572649126 /nfs/dbraw/zinc/64/91/26/572649126.db2.gz AVNJRMRJLCMYTJ-JTQLQIEISA-N 0 3 176.263 2.438 10 30 AEEEHN CC[C@H](CC#N)NC[C@H]1CCCS1 87669014 572649309 /nfs/dbraw/zinc/64/93/09/572649309.db2.gz DKJRGBSHOIKWII-NXEZZACHSA-N 0 3 198.335 2.164 10 30 AEEEHN CC[C@@H](CC#N)NC[C@H]1CCCS1 87669013 572649336 /nfs/dbraw/zinc/64/93/36/572649336.db2.gz DKJRGBSHOIKWII-VHSXEESVSA-N 0 3 198.335 2.164 10 30 AEEEHN C=C(CC)C[C@H](NC)c1ccncn1 85063492 572649346 /nfs/dbraw/zinc/64/93/46/572649346.db2.gz VNBVVURJMOCJRE-NSHDSACASA-N 0 3 191.278 2.093 10 30 AEEEHN C#CCN1C[C@@H]2CCCCCC[C@@H]21 306455995 572649371 /nfs/dbraw/zinc/64/93/71/572649371.db2.gz RFLVUKYXNXFEEM-RYUDHWBXSA-N 0 3 177.291 2.274 10 30 AEEEHN C=C1CCN(C/C=C/C)CC1 306469967 572649421 /nfs/dbraw/zinc/64/94/21/572649421.db2.gz WKZZDJLWHAQIKG-ONEGZZNKSA-N 0 3 151.253 2.215 10 30 AEEEHN C#CC[C@@H](C)NC/C(C)=C\Cl 307851838 572649523 /nfs/dbraw/zinc/64/95/23/572649523.db2.gz AFUZNWDSYBZPNE-JGAIRUGNSA-N 0 3 171.671 2.130 10 30 AEEEHN CC[C@@H](CC#N)NC[C@@H]1CCCS1 87669011 572649854 /nfs/dbraw/zinc/64/98/54/572649854.db2.gz DKJRGBSHOIKWII-UWVGGRQHSA-N 0 3 198.335 2.164 10 30 AEEEHN C=C(C)C[C@H](N)c1ccc(C)cn1 307676504 572653621 /nfs/dbraw/zinc/65/36/21/572653621.db2.gz IOMJPRJIJCRJCU-JTQLQIEISA-N 0 3 176.263 2.356 10 30 AEEEHN C#CCN[C@@H]1CS[C@@H](C(C)(C)C)C1 306485515 572654282 /nfs/dbraw/zinc/65/42/82/572654282.db2.gz IMXVBOMXGUBZLI-VHSXEESVSA-N 0 3 197.347 2.129 10 30 AEEEHN C=C[C@@H]1CC[C@@H](c2ccccn2)N1 713731127 572654532 /nfs/dbraw/zinc/65/45/32/572654532.db2.gz VMPPIZQVCBFGGA-KOLCDFICSA-N 0 3 174.247 2.061 10 30 AEEEHN C=C[C@H]1CC[C@@H](c2ccccn2)N1 713731130 572655727 /nfs/dbraw/zinc/65/57/27/572655727.db2.gz VMPPIZQVCBFGGA-ONGXEEELSA-N 0 3 174.247 2.061 10 30 AEEEHN C=C[C@H]1CC[C@H](c2ccccn2)N1 713731122 572657920 /nfs/dbraw/zinc/65/79/20/572657920.db2.gz VMPPIZQVCBFGGA-GXSJLCMTSA-N 0 3 174.247 2.061 10 30 AEEEHN C=C[C@@H]1CC[C@H](c2ccccn2)N1 713731129 572658244 /nfs/dbraw/zinc/65/82/44/572658244.db2.gz VMPPIZQVCBFGGA-MWLCHTKSSA-N 0 3 174.247 2.061 10 30 AEEEHN C=C[C@H](C)N1C[C@@H](C)OC[C@H]1CC 307612684 572659562 /nfs/dbraw/zinc/65/95/62/572659562.db2.gz ITMJWIGCHQJNKA-HBNTYKKESA-N 0 3 183.295 2.060 10 30 AEEEHN CCCCCCCCC1(O)CNC1 91367525 572659755 /nfs/dbraw/zinc/65/97/55/572659755.db2.gz HBJZHRXXYIKBSW-UHFFFAOYSA-N 0 3 185.311 2.071 10 30 AEEEHN CC#CC[C@@H](N)c1ccc(C)c(C)n1 306404593 572660943 /nfs/dbraw/zinc/66/09/43/572660943.db2.gz IIELJUHVUOIRIM-LLVKDONJSA-N 0 3 188.274 2.112 10 30 AEEEHN C=C([C@@H](N)c1ccoc1)C(F)(F)F 306412238 572661494 /nfs/dbraw/zinc/66/14/94/572661494.db2.gz YVTDFHIYJYBGMK-SSDOTTSWSA-N 0 3 191.152 2.398 10 30 AEEEHN C#C[C@@H](C)NCc1csc(C)c1C 307697613 572661301 /nfs/dbraw/zinc/66/13/01/572661301.db2.gz GRPRJDIRLUTTJF-MRVPVSSYSA-N 0 3 193.315 2.476 10 30 AEEEHN C=C(Cl)CNCC1(C(F)F)CC1 308084534 572661879 /nfs/dbraw/zinc/66/18/79/572661879.db2.gz MNFNCGREMNVUHU-UHFFFAOYSA-N 0 3 195.640 2.374 10 30 AEEEHN CCCCCCCCCC1(O)CNC1 91367261 572662357 /nfs/dbraw/zinc/66/23/57/572662357.db2.gz BWPGKDQZUIYSLM-UHFFFAOYSA-N 0 3 199.338 2.461 10 30 AEEEHN C=CCNC[C@H](OC)c1ccccc1 238381714 572663126 /nfs/dbraw/zinc/66/31/26/572663126.db2.gz LJVGGBDTXDBPHG-LBPRGKRZSA-N 0 3 191.274 2.150 10 30 AEEEHN O=C[C@@H]1CCCCN1C1CCCCC1 54238021 572664619 /nfs/dbraw/zinc/66/46/19/572664619.db2.gz VGPKPEGFFDGFPA-LBPRGKRZSA-N 0 3 195.306 2.373 10 30 AEEEHN O=C[C@H]1CCCCN1C1CCCCC1 54238020 572664999 /nfs/dbraw/zinc/66/49/99/572664999.db2.gz VGPKPEGFFDGFPA-GFCCVEGCSA-N 0 3 195.306 2.373 10 30 AEEEHN C[C@@H](N)c1cc(C#N)c2ccccc2n1 238384243 572666042 /nfs/dbraw/zinc/66/60/42/572666042.db2.gz BFZCNPVYTFLBSZ-MRVPVSSYSA-N 0 3 197.241 2.126 10 30 AEEEHN C[C@H](C#N)CNC[C@@H]1CCCCS1 87685250 572672291 /nfs/dbraw/zinc/67/22/91/572672291.db2.gz RNYQOXYTTMXFNO-ZJUUUORDSA-N 0 3 198.335 2.021 10 30 AEEEHN C=C([C@H](N)c1ccoc1)C(F)(F)F 306412239 572666698 /nfs/dbraw/zinc/66/66/98/572666698.db2.gz YVTDFHIYJYBGMK-ZETCQYMHSA-N 0 3 191.152 2.398 10 30 AEEEHN CC#CC[C@H](N)c1ccc(C)c(C)n1 306404594 572667235 /nfs/dbraw/zinc/66/72/35/572667235.db2.gz IIELJUHVUOIRIM-NSHDSACASA-N 0 3 188.274 2.112 10 30 AEEEHN C#CCN1C[C@H]2CCCCCC[C@@H]21 306455993 572667311 /nfs/dbraw/zinc/66/73/11/572667311.db2.gz RFLVUKYXNXFEEM-NEPJUHHUSA-N 0 3 177.291 2.274 10 30 AEEEHN CC(C)(C)[C@@H](N)C#Cc1ccccc1 306401218 572669070 /nfs/dbraw/zinc/66/90/70/572669070.db2.gz BRMXYKHQRCNMLZ-LBPRGKRZSA-N 0 3 187.286 2.412 10 30 AEEEHN C#CCN[C@H]1CS[C@@H](C(C)(C)C)C1 306485512 572669203 /nfs/dbraw/zinc/66/92/03/572669203.db2.gz IMXVBOMXGUBZLI-NXEZZACHSA-N 0 3 197.347 2.129 10 30 AEEEHN C[C@H](C#N)CNC[C@H]1CCCCS1 87685254 572671424 /nfs/dbraw/zinc/67/14/24/572671424.db2.gz RNYQOXYTTMXFNO-NXEZZACHSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@@H](C#N)CNC[C@@H]1CCCCS1 87685252 572674772 /nfs/dbraw/zinc/67/47/72/572674772.db2.gz RNYQOXYTTMXFNO-UWVGGRQHSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@@H](C#N)CNC[C@H]1CCCCS1 87685256 572675410 /nfs/dbraw/zinc/67/54/10/572675410.db2.gz RNYQOXYTTMXFNO-VHSXEESVSA-N 0 3 198.335 2.021 10 30 AEEEHN C=C(CC)CN(C)CCSC 307865697 572677554 /nfs/dbraw/zinc/67/75/54/572677554.db2.gz JCBXQSSMCIQUJP-UHFFFAOYSA-N 0 3 173.325 2.247 10 30 AEEEHN C=CCNCc1cc(C)cs1 307673856 572679512 /nfs/dbraw/zinc/67/95/12/572679512.db2.gz BUKUVYBAEOMIED-UHFFFAOYSA-N 0 3 167.277 2.332 10 30 AEEEHN C=CCCN1C[C@H](C)OCC1(C)C 307626183 572679809 /nfs/dbraw/zinc/67/98/09/572679809.db2.gz TZMNJJUBBROUBM-JTQLQIEISA-N 0 3 183.295 2.062 10 30 AEEEHN C=C[C@@H](C)N1CCCC[C@H](F)C1 307679683 572681046 /nfs/dbraw/zinc/68/10/46/572681046.db2.gz MXPVDYXDSIVPOY-ZJUUUORDSA-N 0 3 171.259 2.385 10 30 AEEEHN C=CCCN1C[C@@H](C)OCC1(C)C 307626189 572682508 /nfs/dbraw/zinc/68/25/08/572682508.db2.gz TZMNJJUBBROUBM-SNVBAGLBSA-N 0 3 183.295 2.062 10 30 AEEEHN C#CC[C@H](N)c1ccc(C)cc1OC 234797778 572684249 /nfs/dbraw/zinc/68/42/49/572684249.db2.gz WWFPRKLZCHUPKS-NSHDSACASA-N 0 3 189.258 2.027 10 30 AEEEHN C#CCCCN1CCCC[C@H](F)C1 306558770 572685724 /nfs/dbraw/zinc/68/57/24/572685724.db2.gz PAJWJYUVOJIHPK-NSHDSACASA-N 0 3 183.270 2.224 10 30 AEEEHN C#CCCCN1CCCC[C@@H](F)C1 306558763 572686655 /nfs/dbraw/zinc/68/66/55/572686655.db2.gz PAJWJYUVOJIHPK-LLVKDONJSA-N 0 3 183.270 2.224 10 30 AEEEHN C=C(C)C[C@@H](N)c1ccc(C)cn1 307676505 572687420 /nfs/dbraw/zinc/68/74/20/572687420.db2.gz IOMJPRJIJCRJCU-SNVBAGLBSA-N 0 3 176.263 2.356 10 30 AEEEHN C=C[C@H](C)N1CCCC[C@@H](F)C1 307679682 572687652 /nfs/dbraw/zinc/68/76/52/572687652.db2.gz MXPVDYXDSIVPOY-VHSXEESVSA-N 0 3 171.259 2.385 10 30 AEEEHN C=C[C@H](C)N1C[C@H](C)OC[C@H]1CC 307612683 572688781 /nfs/dbraw/zinc/68/87/81/572688781.db2.gz ITMJWIGCHQJNKA-GARJFASQSA-N 0 3 183.295 2.060 10 30 AEEEHN C#Cc1ccc(CNC(C)C)c(F)c1 307654335 572695424 /nfs/dbraw/zinc/69/54/24/572695424.db2.gz VLTJDBXSKCKSBP-UHFFFAOYSA-N 0 3 191.249 2.305 10 30 AEEEHN C=CCCN1CCCC[C@H](F)C1 307610399 572696511 /nfs/dbraw/zinc/69/65/11/572696511.db2.gz HMCJEPQDBCNYAU-JTQLQIEISA-N 0 3 171.259 2.387 10 30 AEEEHN C=CCCCCCn1ccc(CN)n1 236167011 572701080 /nfs/dbraw/zinc/70/10/80/572701080.db2.gz HOUBZXKOCZJWLO-UHFFFAOYSA-N 0 3 193.294 2.088 10 30 AEEEHN C=CCN(C/C=C\C)C1CC1 307873847 572705823 /nfs/dbraw/zinc/70/58/23/572705823.db2.gz MYVSKEMMOVLZQD-HYXAFXHYSA-N 0 3 151.253 2.213 10 30 AEEEHN C=CCN(C/C=C/C)C1CC1 307873845 572706021 /nfs/dbraw/zinc/70/60/21/572706021.db2.gz MYVSKEMMOVLZQD-HWKANZROSA-N 0 3 151.253 2.213 10 30 AEEEHN C=CCCCCCn1nccc1CN 236174224 572712231 /nfs/dbraw/zinc/71/22/31/572712231.db2.gz CZTNTWYXETZTSQ-UHFFFAOYSA-N 0 3 193.294 2.088 10 30 AEEEHN N#CC1CC[C@H](c2ccccc2)C1=O 70627072 572712987 /nfs/dbraw/zinc/71/29/87/572712987.db2.gz UUGVMOODIWZSHJ-GHMZBOCLSA-N 0 3 185.226 2.273 10 30 AEEEHN C#C[C@H](N[C@H]1C[C@H]1C)c1ccccc1 306635598 572713029 /nfs/dbraw/zinc/71/30/29/572713029.db2.gz DBMXNLQWBNLEKE-WXHSDQCUSA-N 0 3 185.270 2.359 10 30 AEEEHN N#CC1CC[C@H](c2ccccc2)C1=O 70627076 572713119 /nfs/dbraw/zinc/71/31/19/572713119.db2.gz UUGVMOODIWZSHJ-WDEREUQCSA-N 0 3 185.226 2.273 10 30 AEEEHN N#CC1CC[C@@H](c2ccccc2)C1=O 70627074 572713174 /nfs/dbraw/zinc/71/31/74/572713174.db2.gz UUGVMOODIWZSHJ-QWRGUYRKSA-N 0 3 185.226 2.273 10 30 AEEEHN N#CC1CC[C@@H](c2ccccc2)C1=O 70627071 572714443 /nfs/dbraw/zinc/71/44/43/572714443.db2.gz UUGVMOODIWZSHJ-MNOVXSKESA-N 0 3 185.226 2.273 10 30 AEEEHN C#C[C@H](N[C@@H]1C[C@@H]1C)c1ccccc1 306635595 572715534 /nfs/dbraw/zinc/71/55/34/572715534.db2.gz DBMXNLQWBNLEKE-WCFLWFBJSA-N 0 3 185.270 2.359 10 30 AEEEHN CC#CCC[C@@H](N)c1ccc(C)cn1 306612758 572716162 /nfs/dbraw/zinc/71/61/62/572716162.db2.gz NECLYEUBMHEMFA-LLVKDONJSA-N 0 3 188.274 2.193 10 30 AEEEHN C#C[C@@H](CC)NC/C(C)=C\Cl 307881904 572717840 /nfs/dbraw/zinc/71/78/40/572717840.db2.gz SAWRGSMJLXZVBR-XZLDQRQTSA-N 0 3 171.671 2.130 10 30 AEEEHN C#Cc1cccc(F)c1CNC1CC1 306647037 572717874 /nfs/dbraw/zinc/71/78/74/572717874.db2.gz BBKDEHXJHNPYHI-UHFFFAOYSA-N 0 3 189.233 2.059 10 30 AEEEHN C[C@H](N)c1cc(C#N)c2ccccc2n1 238438439 572719076 /nfs/dbraw/zinc/71/90/76/572719076.db2.gz BFZCNPVYTFLBSZ-QMMMGPOBSA-N 0 3 197.241 2.126 10 30 AEEEHN C#C[C@H](CC)NC/C(C)=C\Cl 307881903 572719918 /nfs/dbraw/zinc/71/99/18/572719918.db2.gz SAWRGSMJLXZVBR-JGAIRUGNSA-N 0 3 171.671 2.130 10 30 AEEEHN C=CCOCc1cc(CN)sc1C 87794542 572719957 /nfs/dbraw/zinc/71/99/57/572719957.db2.gz ZSPFEFNHNSLTBF-UHFFFAOYSA-N 0 3 197.303 2.218 10 30 AEEEHN C=C(c1cc(CN)co1)C(F)(F)F 306661888 572720047 /nfs/dbraw/zinc/72/00/47/572720047.db2.gz OVQUDAJBFAZVHB-UHFFFAOYSA-N 0 3 191.152 2.314 10 30 AEEEHN C=CCNC/C=C\c1ccco1 308099921 572720955 /nfs/dbraw/zinc/72/09/55/572720955.db2.gz FXIPFUUSQCFOTJ-HYXAFXHYSA-N 0 3 163.220 2.068 10 30 AEEEHN C[C@H](N)c1ccc2cc(C#N)ccc2n1 238445816 572721530 /nfs/dbraw/zinc/72/15/30/572721530.db2.gz WCECREDHAJRMCK-QMMMGPOBSA-N 0 3 197.241 2.126 10 30 AEEEHN C[C@H](N)c1ccc2cccc(C#N)c2n1 238446023 572721908 /nfs/dbraw/zinc/72/19/08/572721908.db2.gz RLFGWQUSKHUHMT-QMMMGPOBSA-N 0 3 197.241 2.126 10 30 AEEEHN C#C[C@@H](NCC)c1cccc(F)c1C 306686550 572722898 /nfs/dbraw/zinc/72/28/98/572722898.db2.gz KJILAESZZFLWSB-GFCCVEGCSA-N 0 3 191.249 2.418 10 30 AEEEHN Cc1cc(F)c(C#C[C@@H](C)N)cc1C 306653807 572723129 /nfs/dbraw/zinc/72/31/29/572723129.db2.gz HCFGUCDYKLFUEQ-SNVBAGLBSA-N 0 3 191.249 2.141 10 30 AEEEHN CC1(C)C[C@@H]1N[C@H]1CCCC[C@@H]1C#N 54828368 572725359 /nfs/dbraw/zinc/72/53/59/572725359.db2.gz STEDZBTULVSMPI-VWYCJHECSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1C[C@@H]1N[C@@H]1CCCCC[C@@H]1C#N 54829645 572726183 /nfs/dbraw/zinc/72/61/83/572726183.db2.gz BVTZELPVGUXVRS-KKOKHZNYSA-N 0 3 192.306 2.457 10 30 AEEEHN CCCCCCN[C@H](C)C=NO 307886397 572727571 /nfs/dbraw/zinc/72/75/71/572727571.db2.gz AUXLOWOJTVGBAR-SECBINFHSA-N 0 3 172.272 2.005 10 30 AEEEHN CCCCCCN[C@@H](C)C=NO 307886398 572727721 /nfs/dbraw/zinc/72/77/21/572727721.db2.gz AUXLOWOJTVGBAR-VIFPVBQESA-N 0 3 172.272 2.005 10 30 AEEEHN C#C[C@H](NCC)c1cccc(F)c1C 306686551 572728030 /nfs/dbraw/zinc/72/80/30/572728030.db2.gz KJILAESZZFLWSB-LBPRGKRZSA-N 0 3 191.249 2.418 10 30 AEEEHN C=CC(C)(C)CNc1nccn1C 307627935 572728520 /nfs/dbraw/zinc/72/85/20/572728520.db2.gz JQSJZYBAWDAGGY-UHFFFAOYSA-N 0 3 179.267 2.044 10 30 AEEEHN CC1(C)C[C@@H]1N[C@@H]1CCCC[C@@H]1C#N 54828362 572728602 /nfs/dbraw/zinc/72/86/02/572728602.db2.gz STEDZBTULVSMPI-MXWKQRLJSA-N 0 3 192.306 2.457 10 30 AEEEHN C#C/C=C\NC1CCCCCC1 307890800 572730823 /nfs/dbraw/zinc/73/08/23/572730823.db2.gz IIAZTZSJMZXIJA-KMKOMSMNSA-N 0 3 163.264 2.446 10 30 AEEEHN CC#CCC[C@H](N)c1ccc(C)cn1 306612759 572734748 /nfs/dbraw/zinc/73/47/48/572734748.db2.gz NECLYEUBMHEMFA-NSHDSACASA-N 0 3 188.274 2.193 10 30 AEEEHN C#C[C@H](N[C@H]1C[C@@H]1C)c1ccccc1 306635589 572739819 /nfs/dbraw/zinc/73/98/19/572739819.db2.gz DBMXNLQWBNLEKE-DRZSPHRISA-N 0 3 185.270 2.359 10 30 AEEEHN C=C1CN(C(C)C)C[C@@H]2CCCCN12 306701773 572741993 /nfs/dbraw/zinc/74/19/93/572741993.db2.gz LFXHXEOGHILMPU-LBPRGKRZSA-N 0 3 194.322 2.079 10 30 AEEEHN C=CCCCCCn1cc(CN)cn1 236195823 572748326 /nfs/dbraw/zinc/74/83/26/572748326.db2.gz HWYGCQDSTIBLJB-UHFFFAOYSA-N 0 3 193.294 2.088 10 30 AEEEHN C=C[C@@H](N)c1cc2cnccc2nc1C 238508366 572750942 /nfs/dbraw/zinc/75/09/42/572750942.db2.gz FXDKAKKZFJFPKO-LLVKDONJSA-N 0 3 199.257 2.124 10 30 AEEEHN C=C(C)[C@H](N)c1cccc(OC)c1F 306769412 572751176 /nfs/dbraw/zinc/75/11/76/572751176.db2.gz AGYWPEDOOBFTSQ-NSHDSACASA-N 0 3 195.237 2.410 10 30 AEEEHN C=C[C@H](N)c1cc2cnccc2nc1C 238508316 572751657 /nfs/dbraw/zinc/75/16/57/572751657.db2.gz FXDKAKKZFJFPKO-NSHDSACASA-N 0 3 199.257 2.124 10 30 AEEEHN C=C[C@@H](N)c1cc2cccnc2nc1C 238511781 572756669 /nfs/dbraw/zinc/75/66/69/572756669.db2.gz MDSMVBCAWZUZNU-LLVKDONJSA-N 0 3 199.257 2.124 10 30 AEEEHN C=C(C)CN(C)C/C=C/C 306762170 572756822 /nfs/dbraw/zinc/75/68/22/572756822.db2.gz SVQOAQGDUJRCAP-AATRIKPKSA-N 0 3 139.242 2.070 10 30 AEEEHN C=C[C@H](N)c1cc2cccnc2nc1C 238511739 572757733 /nfs/dbraw/zinc/75/77/33/572757733.db2.gz MDSMVBCAWZUZNU-NSHDSACASA-N 0 3 199.257 2.124 10 30 AEEEHN C=C(C)[C@@H](N)c1cccc(OC)c1F 306769408 572759840 /nfs/dbraw/zinc/75/98/40/572759840.db2.gz AGYWPEDOOBFTSQ-LLVKDONJSA-N 0 3 195.237 2.410 10 30 AEEEHN Cc1ccncc1NC(=N)C(C)(C)C 70959753 572760594 /nfs/dbraw/zinc/76/05/94/572760594.db2.gz VKUSWPCDKBTTTD-UHFFFAOYSA-N 0 3 191.278 2.425 10 30 AEEEHN Cc1ccncc1NC(=N)C(C)C 70959745 572761229 /nfs/dbraw/zinc/76/12/29/572761229.db2.gz NGOROKWYMBNYSE-UHFFFAOYSA-N 0 3 177.251 2.035 10 30 AEEEHN C=C/C=C\CCN[C@@H](CC)CC#N 713498866 572761533 /nfs/dbraw/zinc/76/15/33/572761533.db2.gz DJHJTATXDIUGJH-GZTOBOFZSA-N 0 3 178.279 2.401 10 30 AEEEHN C=C/C=C/CCN[C@@H](CC)CC#N 713498935 572762713 /nfs/dbraw/zinc/76/27/13/572762713.db2.gz DJHJTATXDIUGJH-QRGHLMKCSA-N 0 3 178.279 2.401 10 30 AEEEHN C=C/C=C\CCN[C@H](CC)CC#N 713498867 572763242 /nfs/dbraw/zinc/76/32/42/572763242.db2.gz DJHJTATXDIUGJH-ISALQUGTSA-N 0 3 178.279 2.401 10 30 AEEEHN C=C/C=C/CCN[C@H](CC)CC#N 713498934 572763605 /nfs/dbraw/zinc/76/36/05/572763605.db2.gz DJHJTATXDIUGJH-MVIFTORASA-N 0 3 178.279 2.401 10 30 AEEEHN Cc1cc(C#C[C@@H](C)N)c(C)cc1F 306798873 572764634 /nfs/dbraw/zinc/76/46/34/572764634.db2.gz MKADUNLKJTXUTB-SNVBAGLBSA-N 0 3 191.249 2.141 10 30 AEEEHN C=CCCN(C)C[C@H](F)CC 307917414 572766840 /nfs/dbraw/zinc/76/68/40/572766840.db2.gz BVXSFFIQWBXZNH-SECBINFHSA-N 0 3 159.248 2.242 10 30 AEEEHN C[C@@H](CCS)CCN1CCC1 307918311 572768529 /nfs/dbraw/zinc/76/85/29/572768529.db2.gz DMHBSLCMZZPUBR-SECBINFHSA-N 0 3 173.325 2.038 10 30 AEEEHN C[C@H](CCS)CCN1CCC1 307918312 572769923 /nfs/dbraw/zinc/76/99/23/572769923.db2.gz DMHBSLCMZZPUBR-VIFPVBQESA-N 0 3 173.325 2.038 10 30 AEEEHN C=CCNCc1ccn(CCC)c1 85604862 572771210 /nfs/dbraw/zinc/77/12/10/572771210.db2.gz UZYZUJMWEZGDHL-UHFFFAOYSA-N 0 3 178.279 2.174 10 30 AEEEHN Cc1cc(C#N)cc(NC2=NCCC2)c1 308125268 572771524 /nfs/dbraw/zinc/77/15/24/572771524.db2.gz ZDHIIWZVEXFPPF-UHFFFAOYSA-N 0 3 199.257 2.471 10 30 AEEEHN C#CCCNCc1cccn1CCC 85609753 572774787 /nfs/dbraw/zinc/77/47/87/572774787.db2.gz PCHMZQLXIHYTHK-UHFFFAOYSA-N 0 3 190.290 2.011 10 30 AEEEHN C=CCNCc1cccn1CCC 85608053 572775218 /nfs/dbraw/zinc/77/52/18/572775218.db2.gz BQQZUSVNGTYFCT-UHFFFAOYSA-N 0 3 178.279 2.174 10 30 AEEEHN CCC(C#N)C(=O)C1(CC)CC1 308118654 572775712 /nfs/dbraw/zinc/77/57/12/572775712.db2.gz NQVRQPQKFULJOV-QMMMGPOBSA-N 0 3 165.236 2.295 10 30 AEEEHN CCC(C#N)C(=O)C1(CC)CC1 308118653 572777263 /nfs/dbraw/zinc/77/72/63/572777263.db2.gz NQVRQPQKFULJOV-MRVPVSSYSA-N 0 3 165.236 2.295 10 30 AEEEHN C=C([C@@H](C)NCCC)C(F)(F)F 308119206 572781093 /nfs/dbraw/zinc/78/10/93/572781093.db2.gz OCSUFEIEBYAKER-SSDOTTSWSA-N 0 3 181.201 2.493 10 30 AEEEHN C#C[C@H](NCC)c1csc(C)c1 306844577 572782065 /nfs/dbraw/zinc/78/20/65/572782065.db2.gz HKGVOJKFUTTZTP-JTQLQIEISA-N 0 3 179.288 2.340 10 30 AEEEHN C=C([C@H](C)NCCC)C(F)(F)F 308119207 572782058 /nfs/dbraw/zinc/78/20/58/572782058.db2.gz OCSUFEIEBYAKER-ZETCQYMHSA-N 0 3 181.201 2.493 10 30 AEEEHN CC#CCCN1CCCC[C@H](F)C1 307724870 572782995 /nfs/dbraw/zinc/78/29/95/572782995.db2.gz ZUFINMDOIYFZHU-NSHDSACASA-N 0 3 183.270 2.224 10 30 AEEEHN C#C[C@@H](NCC)c1csc(C)c1 306844578 572785345 /nfs/dbraw/zinc/78/53/45/572785345.db2.gz HKGVOJKFUTTZTP-SNVBAGLBSA-N 0 3 179.288 2.340 10 30 AEEEHN C=CCCOc1ccc(F)cc1CN 236224492 572786529 /nfs/dbraw/zinc/78/65/29/572786529.db2.gz COTFSHBTPWBEOE-UHFFFAOYSA-N 0 3 195.237 2.239 10 30 AEEEHN CCCC(C#N)C(=O)C1(C)CC1 308131051 572787962 /nfs/dbraw/zinc/78/79/62/572787962.db2.gz XMDUQGOJSCNUOI-QMMMGPOBSA-N 0 3 165.236 2.295 10 30 AEEEHN CCCC(C#N)C(=O)C1(C)CC1 308131050 572787226 /nfs/dbraw/zinc/78/72/26/572787226.db2.gz XMDUQGOJSCNUOI-MRVPVSSYSA-N 0 3 165.236 2.295 10 30 AEEEHN C=CCC(=O)C(C)(C)N1CCCC1 85739870 572787847 /nfs/dbraw/zinc/78/78/47/572787847.db2.gz HDJJWVGDLVEGEM-UHFFFAOYSA-N 0 3 181.279 2.006 10 30 AEEEHN C=CCN(C)CC=C1CCC1 307725744 572787894 /nfs/dbraw/zinc/78/78/94/572787894.db2.gz CFWUXYGWDVJTID-UHFFFAOYSA-N 0 3 151.253 2.215 10 30 AEEEHN C#CCC(=O)[C@](C)(CC)N(CC)CC 85747264 572788090 /nfs/dbraw/zinc/78/80/90/572788090.db2.gz QQMJVPBPVJKOPJ-LBPRGKRZSA-N 0 3 195.306 2.089 10 30 AEEEHN C#CCC(=O)[C@@](C)(CC)N(CC)CC 85747268 572788282 /nfs/dbraw/zinc/78/82/82/572788282.db2.gz QQMJVPBPVJKOPJ-GFCCVEGCSA-N 0 3 195.306 2.089 10 30 AEEEHN C=CCCC(=O)[C@@](C)(CC)N(C)C 85743638 572788677 /nfs/dbraw/zinc/78/86/77/572788677.db2.gz GMKQZIFNBWNBTN-LLVKDONJSA-N 0 3 183.295 2.252 10 30 AEEEHN C=CCCC(=O)[C@](C)(CC)N(C)C 85743635 572788801 /nfs/dbraw/zinc/78/88/01/572788801.db2.gz GMKQZIFNBWNBTN-NSHDSACASA-N 0 3 183.295 2.252 10 30 AEEEHN C#CC[C@@H](N)c1ccc(C)cc1OC 234844494 572788834 /nfs/dbraw/zinc/78/88/34/572788834.db2.gz WWFPRKLZCHUPKS-LLVKDONJSA-N 0 3 189.258 2.027 10 30 AEEEHN CC#CCC(=O)C(C)(C)N(CC)CC 85738528 572788844 /nfs/dbraw/zinc/78/88/44/572788844.db2.gz MRGJCIAAIPEFKK-UHFFFAOYSA-N 0 3 195.306 2.089 10 30 AEEEHN C=C([C@H](CC)NC)C(F)(F)F 307732256 572789421 /nfs/dbraw/zinc/78/94/21/572789421.db2.gz PCUJMOVCAZYMOF-LURJTMIESA-N 0 3 167.174 2.103 10 30 AEEEHN C#C[C@@H](C)N(C)CCc1ccsc1 308131780 572789817 /nfs/dbraw/zinc/78/98/17/572789817.db2.gz BJLIIMFHKUJUDX-SNVBAGLBSA-N 0 3 193.315 2.244 10 30 AEEEHN C#C[C@H](C)N(C)CCc1ccsc1 308131779 572790626 /nfs/dbraw/zinc/79/06/26/572790626.db2.gz BJLIIMFHKUJUDX-JTQLQIEISA-N 0 3 193.315 2.244 10 30 AEEEHN C=CC(=O)[C@@](C)(CC)N(CC)CC 85747298 572790751 /nfs/dbraw/zinc/79/07/51/572790751.db2.gz XEDCYAQFZWYCQM-LLVKDONJSA-N 0 3 183.295 2.252 10 30 AEEEHN C=CCCC(=O)C(C)(C)N1CCCC1 85739878 572790923 /nfs/dbraw/zinc/79/09/23/572790923.db2.gz ZIFHSHKHVZDCEH-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN C=CC(=O)[C@](C)(CC)N(CC)CC 85747296 572791044 /nfs/dbraw/zinc/79/10/44/572791044.db2.gz XEDCYAQFZWYCQM-NSHDSACASA-N 0 3 183.295 2.252 10 30 AEEEHN C/C=C\CCN[C@@H](CC)CC#N 307935973 572792052 /nfs/dbraw/zinc/79/20/52/572792052.db2.gz TWDMKVCMXDTXCX-ATPLWMGHSA-N 0 3 166.268 2.234 10 30 AEEEHN C=CC(=O)[C@@](C)(CC)N1CCCC1 85748547 572792647 /nfs/dbraw/zinc/79/26/47/572792647.db2.gz CTKBCSKAWVNWCB-LLVKDONJSA-N 0 3 181.279 2.006 10 30 AEEEHN CC#CCC(=O)C(CC)(CC)N(C)C 85750323 572795137 /nfs/dbraw/zinc/79/51/37/572795137.db2.gz AVBGCXGWVUYWBS-UHFFFAOYSA-N 0 3 195.306 2.089 10 30 AEEEHN C=CCC(=O)C(CC)(CC)N(C)C 85750335 572795151 /nfs/dbraw/zinc/79/51/51/572795151.db2.gz ZFZOXBBGECHWJJ-UHFFFAOYSA-N 0 3 183.295 2.252 10 30 AEEEHN C=CC(=O)[C@](C)(CC)N1CCCC1 85748545 572796028 /nfs/dbraw/zinc/79/60/28/572796028.db2.gz CTKBCSKAWVNWCB-NSHDSACASA-N 0 3 181.279 2.006 10 30 AEEEHN C#CCCNCc1ccsc1C 307937077 572796507 /nfs/dbraw/zinc/79/65/07/572796507.db2.gz ABOZKXAZCVKYAZ-UHFFFAOYSA-N 0 3 179.288 2.169 10 30 AEEEHN C#CCCC(=O)C(CC)(CC)N(C)C 85750302 572797557 /nfs/dbraw/zinc/79/75/57/572797557.db2.gz IMBLWJYHWQBNSP-UHFFFAOYSA-N 0 3 195.306 2.089 10 30 AEEEHN C#CC(=O)C(CC)(CC)N(CC)CC 85751034 572798299 /nfs/dbraw/zinc/79/82/99/572798299.db2.gz ICKFUVRPCPPDCB-UHFFFAOYSA-N 0 3 195.306 2.089 10 30 AEEEHN C=C([C@@H](C)NCC)C(F)(F)F 307731742 572798948 /nfs/dbraw/zinc/79/89/48/572798948.db2.gz NTQVWIPGMCCXJZ-ZCFIWIBFSA-N 0 3 167.174 2.103 10 30 AEEEHN C=CCCCCCCNC1COC1 308132198 572799363 /nfs/dbraw/zinc/79/93/63/572799363.db2.gz FNUOLLHCHDIUQS-UHFFFAOYSA-N 0 3 183.295 2.111 10 30 AEEEHN C=CC(=O)[C@@](C)(CC)N1CCCCC1 85749373 572799488 /nfs/dbraw/zinc/79/94/88/572799488.db2.gz XFCYYAFBCHHLAC-GFCCVEGCSA-N 0 3 195.306 2.396 10 30 AEEEHN C#CCC[C@H](N)c1sccc1F 306862360 572799657 /nfs/dbraw/zinc/79/96/57/572799657.db2.gz IFIQNHCMJOAQOY-QMMMGPOBSA-N 0 3 183.251 2.300 10 30 AEEEHN C=CC(=O)C1(N(CC)CC)CCCC1 85752213 572801717 /nfs/dbraw/zinc/80/17/17/572801717.db2.gz YOLSMOLDIXRSQI-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN C=CCC(=O)C1(N(C)C)CCCC1 85751562 572802021 /nfs/dbraw/zinc/80/20/21/572802021.db2.gz NSJNUWDXGVGAQY-UHFFFAOYSA-N 0 3 181.279 2.006 10 30 AEEEHN C=CCCC(=O)C1(N(C)C)CCCC1 85751566 572802088 /nfs/dbraw/zinc/80/20/88/572802088.db2.gz GHYBFGAPXDHFEK-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN C=CC(=O)[C@](C)(CC)N1CCCCC1 85749372 572802184 /nfs/dbraw/zinc/80/21/84/572802184.db2.gz XFCYYAFBCHHLAC-LBPRGKRZSA-N 0 3 195.306 2.396 10 30 AEEEHN C=CCC(=O)C1(N(C)C)CCCCC1 85752921 572802404 /nfs/dbraw/zinc/80/24/04/572802404.db2.gz OBPLIIKABDMKGZ-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN CC[C@H](C(C)C)N(C)CCC#N 307939917 572803752 /nfs/dbraw/zinc/80/37/52/572803752.db2.gz BGNCMWXCJBXRFW-SNVBAGLBSA-N 0 3 168.284 2.266 10 30 AEEEHN C#C[C@@H](NC(C)C)c1ccccc1 306842504 572804212 /nfs/dbraw/zinc/80/42/12/572804212.db2.gz BXSSRXRMXXLRJI-GFCCVEGCSA-N 0 3 173.259 2.359 10 30 AEEEHN CC[C@@H](C(C)C)N(C)CCC#N 307939916 572804370 /nfs/dbraw/zinc/80/43/70/572804370.db2.gz BGNCMWXCJBXRFW-JTQLQIEISA-N 0 3 168.284 2.266 10 30 AEEEHN C#CCC[C@@H](N)c1sccc1F 306862359 572804546 /nfs/dbraw/zinc/80/45/46/572804546.db2.gz IFIQNHCMJOAQOY-MRVPVSSYSA-N 0 3 183.251 2.300 10 30 AEEEHN C[C@H](CC#N)N(C)C(C)(C)C 49804606 572805627 /nfs/dbraw/zinc/80/56/27/572805627.db2.gz DKNJSUFVVDTYPY-MRVPVSSYSA-N 0 3 154.257 2.019 10 30 AEEEHN CC#CCNC[C@@H]1CCCC1(F)F 306818123 572807126 /nfs/dbraw/zinc/80/71/26/572807126.db2.gz DZKQJBDMPZBHJT-VIFPVBQESA-N 0 3 187.233 2.035 10 30 AEEEHN C[C@H](C#N)[C@@H](C)N[C@H](C)C1(C)CC1 308138183 572807777 /nfs/dbraw/zinc/80/77/77/572807777.db2.gz AAXWSHDMLNGATI-OPRDCNLKSA-N 0 3 180.295 2.313 10 30 AEEEHN C[C@H](C#N)[C@H](C)N[C@@H](C)C1(C)CC1 308138184 572808618 /nfs/dbraw/zinc/80/86/18/572808618.db2.gz AAXWSHDMLNGATI-UTLUCORTSA-N 0 3 180.295 2.313 10 30 AEEEHN C[C@@H]1CCCN(CC(C)(C)C#N)C1 49805652 572808871 /nfs/dbraw/zinc/80/88/71/572808871.db2.gz RULAECZKDYBKJU-SNVBAGLBSA-N 0 3 180.295 2.268 10 30 AEEEHN C[C@H]1CCCCN1CC(C)(C)C#N 49805651 572809350 /nfs/dbraw/zinc/80/93/50/572809350.db2.gz XIYNJGYBKHBHDL-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN CC1CCN(CC(C)(C)C#N)CC1 49805648 572809394 /nfs/dbraw/zinc/80/93/94/572809394.db2.gz ZMRIQOOAHKLMHP-UHFFFAOYSA-N 0 3 180.295 2.268 10 30 AEEEHN C[C@H](C#N)[C@H](C)N[C@H](C)C1(C)CC1 308138182 572809785 /nfs/dbraw/zinc/80/97/85/572809785.db2.gz AAXWSHDMLNGATI-KXUCPTDWSA-N 0 3 180.295 2.313 10 30 AEEEHN C[C@@H]1CCCCN1CC(C)(C)C#N 49805650 572809993 /nfs/dbraw/zinc/80/99/93/572809993.db2.gz XIYNJGYBKHBHDL-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@H]1CCCN(CC(C)(C)C#N)C1 49805653 572810124 /nfs/dbraw/zinc/81/01/24/572810124.db2.gz RULAECZKDYBKJU-JTQLQIEISA-N 0 3 180.295 2.268 10 30 AEEEHN C=CCN(Cc1ccc[nH]1)C(C)C 308139464 572812089 /nfs/dbraw/zinc/81/20/89/572812089.db2.gz HNHBIESUNCPINV-UHFFFAOYSA-N 0 3 178.279 2.411 10 30 AEEEHN CC(C)[C@@H]1CC[C@H](NCCC#N)C1 308138741 572812512 /nfs/dbraw/zinc/81/25/12/572812512.db2.gz HCKGCNNRKWLDHE-MNOVXSKESA-N 0 3 180.295 2.314 10 30 AEEEHN CC1(CCNCCC#N)CCCC1 308139206 572813570 /nfs/dbraw/zinc/81/35/70/572813570.db2.gz QWHJZJHSCOMFON-UHFFFAOYSA-N 0 3 180.295 2.460 10 30 AEEEHN CC(C)[C@H]1CC[C@H](NCCC#N)C1 308138743 572813730 /nfs/dbraw/zinc/81/37/30/572813730.db2.gz HCKGCNNRKWLDHE-QWRGUYRKSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)[C@H]1CC[C@@H](NCCC#N)C1 308138746 572813746 /nfs/dbraw/zinc/81/37/46/572813746.db2.gz HCKGCNNRKWLDHE-WDEREUQCSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)[C@@H]1CC[C@@H](NCCC#N)C1 308138738 572813788 /nfs/dbraw/zinc/81/37/88/572813788.db2.gz HCKGCNNRKWLDHE-GHMZBOCLSA-N 0 3 180.295 2.314 10 30 AEEEHN C=C[C@H](Oc1ccccc1)[C@H](N)C=C 238561349 572818566 /nfs/dbraw/zinc/81/85/66/572818566.db2.gz CLRRIVYFTBFURX-NEPJUHHUSA-N 0 3 189.258 2.133 10 30 AEEEHN C=C(C)[C@H](NC)c1ccc(C)cn1 306897100 572819838 /nfs/dbraw/zinc/81/98/38/572819838.db2.gz RZDYBRVCJHSLKX-NSHDSACASA-N 0 3 176.263 2.227 10 30 AEEEHN C=C[C@@H](C)N(C)C[C@@H]1CCCCO1 308144266 572821975 /nfs/dbraw/zinc/82/19/75/572821975.db2.gz KREBPLHZQMLDQK-MNOVXSKESA-N 0 3 183.295 2.062 10 30 AEEEHN C=C[C@@H](C)N(C)C[C@H]1CCCCO1 308144265 572823004 /nfs/dbraw/zinc/82/30/04/572823004.db2.gz KREBPLHZQMLDQK-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C[C@H](C)N(C)C[C@H]1CCCCO1 308144268 572823155 /nfs/dbraw/zinc/82/31/55/572823155.db2.gz KREBPLHZQMLDQK-WDEREUQCSA-N 0 3 183.295 2.062 10 30 AEEEHN N#Cc1cc2c(cc1[C@H]1CCN1)CCC2 238573361 572824690 /nfs/dbraw/zinc/82/46/90/572824690.db2.gz MEVKBDCXDFTSHE-CYBMUJFWSA-N 0 3 198.269 2.081 10 30 AEEEHN C#C[C@H](C)N(C)CCSCC(C)C 308140870 572824735 /nfs/dbraw/zinc/82/47/35/572824735.db2.gz IJFPCNLATNLCMG-NSHDSACASA-N 0 3 199.363 2.329 10 30 AEEEHN N#Cc1cc2c(cc1[C@@H]1CCN1)CCC2 238573347 572825369 /nfs/dbraw/zinc/82/53/69/572825369.db2.gz MEVKBDCXDFTSHE-ZDUSSCGKSA-N 0 3 198.269 2.081 10 30 AEEEHN C=C[C@@H](N)c1cc2c(cc1C#N)CCC2 238580202 572829568 /nfs/dbraw/zinc/82/95/68/572829568.db2.gz VQPHDCWVPDYGMA-CYBMUJFWSA-N 0 3 198.269 2.233 10 30 AEEEHN C=C[C@@H](N)c1cc(C#N)c2c(c1)CCC2 238580181 572829762 /nfs/dbraw/zinc/82/97/62/572829762.db2.gz FKTZULCHGZAYPK-CYBMUJFWSA-N 0 3 198.269 2.233 10 30 AEEEHN C=CCCCOCc1occc1CN 85868087 572830205 /nfs/dbraw/zinc/83/02/05/572830205.db2.gz KLNGAMJDKSESKZ-UHFFFAOYSA-N 0 3 195.262 2.221 10 30 AEEEHN C=C[C@@H](N)c1nccc2c(N)cccc12 238578229 572830292 /nfs/dbraw/zinc/83/02/92/572830292.db2.gz KIZWGKUIBDULPN-SNVBAGLBSA-N 0 3 199.257 2.003 10 30 AEEEHN C=CCCCOCc1cc(CN)co1 85868158 572830967 /nfs/dbraw/zinc/83/09/67/572830967.db2.gz JOWSIELJOGLVSL-UHFFFAOYSA-N 0 3 195.262 2.221 10 30 AEEEHN C=C[C@@H](N)c1cc2cc(C#N)ccc2[nH]1 238580598 572831480 /nfs/dbraw/zinc/83/14/80/572831480.db2.gz GINJFBFBTVPMJQ-SNVBAGLBSA-N 0 3 197.241 2.225 10 30 AEEEHN C=C[C@@H](NC)c1cnc(C)cc1C 306999955 572831844 /nfs/dbraw/zinc/83/18/44/572831844.db2.gz ABUYXKIWFAWKHB-LLVKDONJSA-N 0 3 176.263 2.145 10 30 AEEEHN C=CCN1CCS[C@H]2CCC[C@@H]21 306942684 572832969 /nfs/dbraw/zinc/83/29/69/572832969.db2.gz ILZJRFOZXAMPMS-UWVGGRQHSA-N 0 3 183.320 2.142 10 30 AEEEHN C=C[C@@H](N)c1ccc2ccc(N)cc2n1 238582580 572834946 /nfs/dbraw/zinc/83/49/46/572834946.db2.gz PDVUKYCXZWDZFT-SNVBAGLBSA-N 0 3 199.257 2.003 10 30 AEEEHN N#Cc1cccc2c1C1(CCC1)CNC2 238585612 572834397 /nfs/dbraw/zinc/83/43/97/572834397.db2.gz SMDFSSYJWVUGNP-UHFFFAOYSA-N 0 3 198.269 2.083 10 30 AEEEHN N#Cc1ccc2c(c1)CNCC21CCC1 238584496 572834674 /nfs/dbraw/zinc/83/46/74/572834674.db2.gz VODMOZYJBKAVPF-UHFFFAOYSA-N 0 3 198.269 2.083 10 30 AEEEHN CC#CC[C@@H](NC)c1ccc(C)cn1 306905596 572835148 /nfs/dbraw/zinc/83/51/48/572835148.db2.gz LJHCSGKONNYGFN-LLVKDONJSA-N 0 3 188.274 2.064 10 30 AEEEHN N#Cc1ccc2c(c1)C1(CCC1)CNC2 238584562 572835495 /nfs/dbraw/zinc/83/54/95/572835495.db2.gz HUQZHNLQNLKYNI-UHFFFAOYSA-N 0 3 198.269 2.083 10 30 AEEEHN C=CCN(CCF)[C@H](C)C(C)C 307957097 572836538 /nfs/dbraw/zinc/83/65/38/572836538.db2.gz GRRAFBNFGYAAQH-SNVBAGLBSA-N 0 3 173.275 2.488 10 30 AEEEHN CCO/N=C(\C)c1ccc(N)cc1 77252439 572837182 /nfs/dbraw/zinc/83/71/82/572837182.db2.gz GSOZJCKOJWPZKJ-XYOKQWHBSA-N 0 3 178.235 2.029 10 30 AEEEHN CCCO/N=C(\C)c1ccc(N)cc1 77252432 572837440 /nfs/dbraw/zinc/83/74/40/572837440.db2.gz JVTKFPLIZRHUBP-UKTHLTGXSA-N 0 3 192.262 2.419 10 30 AEEEHN C=CCN(CCF)[C@@H](C)C(C)C 307957096 572837453 /nfs/dbraw/zinc/83/74/53/572837453.db2.gz GRRAFBNFGYAAQH-JTQLQIEISA-N 0 3 173.275 2.488 10 30 AEEEHN C=CC[C@@H](N)c1c(C)csc1N 713767512 572837895 /nfs/dbraw/zinc/83/78/95/572837895.db2.gz GDJVBSRSYWCNPO-SSDOTTSWSA-N 0 3 182.292 2.215 10 30 AEEEHN C=CCN1CCS[C@H]2CCC[C@H]21 306942686 572838301 /nfs/dbraw/zinc/83/83/01/572838301.db2.gz ILZJRFOZXAMPMS-ZJUUUORDSA-N 0 3 183.320 2.142 10 30 AEEEHN C=C(C)[C@@H](CC(F)(F)F)NCC 86027835 572845060 /nfs/dbraw/zinc/84/50/60/572845060.db2.gz VWSLQNAFOYKFJW-SSDOTTSWSA-N 0 3 181.201 2.493 10 30 AEEEHN C=C(C)[C@H](NCC)c1ccccn1 86025805 572845156 /nfs/dbraw/zinc/84/51/56/572845156.db2.gz NZWWTQNREWLEBR-NSHDSACASA-N 0 3 176.263 2.308 10 30 AEEEHN C=C(C)[C@H](NCC)c1cccnc1 86025859 572845192 /nfs/dbraw/zinc/84/51/92/572845192.db2.gz YGIIVDVFICPDBM-NSHDSACASA-N 0 3 176.263 2.308 10 30 AEEEHN C=C(C)[C@@H](NCC)c1ccccn1 86025803 572845280 /nfs/dbraw/zinc/84/52/80/572845280.db2.gz NZWWTQNREWLEBR-LLVKDONJSA-N 0 3 176.263 2.308 10 30 AEEEHN C=C(C)[C@@H](NCC)c1ccncc1 86025915 572845598 /nfs/dbraw/zinc/84/55/98/572845598.db2.gz UQOWTZZQVLPHCJ-LLVKDONJSA-N 0 3 176.263 2.308 10 30 AEEEHN C=C(C)C(=O)C(CC)(CC)N(C)C 86024005 572846159 /nfs/dbraw/zinc/84/61/59/572846159.db2.gz XQTOMQMAAQVVEM-UHFFFAOYSA-N 0 3 183.295 2.252 10 30 AEEEHN C=C(C)CC(=O)[C@](C)(CC)N(C)C 86023927 572846235 /nfs/dbraw/zinc/84/62/35/572846235.db2.gz ARCMRFOTECTBCB-NSHDSACASA-N 0 3 183.295 2.252 10 30 AEEEHN C=C(C)[C@H](CC(F)(F)F)NCC 86027828 572846553 /nfs/dbraw/zinc/84/65/53/572846553.db2.gz VWSLQNAFOYKFJW-ZETCQYMHSA-N 0 3 181.201 2.493 10 30 AEEEHN C=C(C)CC(=O)[C@@](C)(CC)N(C)C 86023933 572846606 /nfs/dbraw/zinc/84/66/06/572846606.db2.gz ARCMRFOTECTBCB-LLVKDONJSA-N 0 3 183.295 2.252 10 30 AEEEHN C=C(C)[C@@H](NCC)c1cccnc1 86025857 572846898 /nfs/dbraw/zinc/84/68/98/572846898.db2.gz YGIIVDVFICPDBM-LLVKDONJSA-N 0 3 176.263 2.308 10 30 AEEEHN C=C(C)[C@H](N)c1ccc2nccnc2c1 86056413 572847658 /nfs/dbraw/zinc/84/76/58/572847658.db2.gz QVZZVPVZBMAQES-LBPRGKRZSA-N 0 3 199.257 2.206 10 30 AEEEHN C=C(C)[C@@H](NCCC)c1cnn(C)c1 86057112 572848082 /nfs/dbraw/zinc/84/80/82/572848082.db2.gz AWWSCTJQHXVZBP-LLVKDONJSA-N 0 3 193.294 2.037 10 30 AEEEHN C=CCCCC(=O)C1(NC)CCC1 308144663 572848418 /nfs/dbraw/zinc/84/84/18/572848418.db2.gz XAMSWGISJSEXEM-UHFFFAOYSA-N 0 3 181.279 2.054 10 30 AEEEHN N#C[C@]1(CCCCF)CCCNC1 308144485 572848654 /nfs/dbraw/zinc/84/86/54/572848654.db2.gz NCXMDTSIIPQMOM-JTQLQIEISA-N 0 3 184.258 2.020 10 30 AEEEHN C[C@H](CC#N)N[C@H](C)[C@H]1CC1(C)C 308144932 572848809 /nfs/dbraw/zinc/84/88/09/572848809.db2.gz LEFKYSZPRULFKV-OPRDCNLKSA-N 0 3 180.295 2.313 10 30 AEEEHN C[C@H](N[C@H](C)CC#N)[C@@H]1CC1(C)C 308144933 572849457 /nfs/dbraw/zinc/84/94/57/572849457.db2.gz LEFKYSZPRULFKV-UTLUCORTSA-N 0 3 180.295 2.313 10 30 AEEEHN N#C[C@@]1(CCCCF)CCCNC1 308144489 572849683 /nfs/dbraw/zinc/84/96/83/572849683.db2.gz NCXMDTSIIPQMOM-SNVBAGLBSA-N 0 3 184.258 2.020 10 30 AEEEHN C=C(C)[C@@H](NCCC)c1ccncn1 86056380 572849906 /nfs/dbraw/zinc/84/99/06/572849906.db2.gz CTGDREUQMUBNTJ-LLVKDONJSA-N 0 3 191.278 2.093 10 30 AEEEHN C[C@H](CC#N)N[C@H](C)[C@@H]1CC1(C)C 308144930 572851021 /nfs/dbraw/zinc/85/10/21/572851021.db2.gz LEFKYSZPRULFKV-BBBLOLIVSA-N 0 3 180.295 2.313 10 30 AEEEHN C=C(C)[C@H](NCCC)c1ccncn1 86056381 572850139 /nfs/dbraw/zinc/85/01/39/572850139.db2.gz CTGDREUQMUBNTJ-NSHDSACASA-N 0 3 191.278 2.093 10 30 AEEEHN C=C(C)[C@H](NCCC)c1cnn(C)c1 86057114 572850152 /nfs/dbraw/zinc/85/01/52/572850152.db2.gz AWWSCTJQHXVZBP-NSHDSACASA-N 0 3 193.294 2.037 10 30 AEEEHN C[C@H](N[C@H](C)CC#N)[C@H]1CC1(C)C 308144931 572850588 /nfs/dbraw/zinc/85/05/88/572850588.db2.gz LEFKYSZPRULFKV-KXUCPTDWSA-N 0 3 180.295 2.313 10 30 AEEEHN C=C(C)C[C@@H](NC)c1ccccn1 86060744 572850894 /nfs/dbraw/zinc/85/08/94/572850894.db2.gz MEFMRKFWMMOSAW-LLVKDONJSA-N 0 3 176.263 2.308 10 30 AEEEHN CC(C)(NCC1(C#N)CC1)C1CC1 308153467 572850960 /nfs/dbraw/zinc/85/09/60/572850960.db2.gz PUFWYNLSXAWBFD-UHFFFAOYSA-N 0 3 178.279 2.068 10 30 AEEEHN C=C(C)C[C@H](NCC)c1ccn(C)n1 86062051 572851386 /nfs/dbraw/zinc/85/13/86/572851386.db2.gz HAKQPDGHWWUJBB-NSHDSACASA-N 0 3 193.294 2.037 10 30 AEEEHN C=C(C)C[C@@H](NCC)c1ccn(C)n1 86062052 572851434 /nfs/dbraw/zinc/85/14/34/572851434.db2.gz HAKQPDGHWWUJBB-LLVKDONJSA-N 0 3 193.294 2.037 10 30 AEEEHN C=C(C)C[C@@H](NCC)c1cnccn1 86061037 572851514 /nfs/dbraw/zinc/85/15/14/572851514.db2.gz ZNNINBHCSJCBLI-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN C=C[C@@H](C)N(C)Cc1ccc[nH]1 307960973 572851558 /nfs/dbraw/zinc/85/15/58/572851558.db2.gz WXCJQAVGWHYDGU-SECBINFHSA-N 0 3 164.252 2.021 10 30 AEEEHN C=CC[C@@H](CC)N[C@H](C)CC#N 307960428 572852000 /nfs/dbraw/zinc/85/20/00/572852000.db2.gz WALISSOIYIASPI-NXEZZACHSA-N 0 3 166.268 2.233 10 30 AEEEHN C=CC[C@@H](CC)N[C@@H](C)CC#N 307960430 572852430 /nfs/dbraw/zinc/85/24/30/572852430.db2.gz WALISSOIYIASPI-VHSXEESVSA-N 0 3 166.268 2.233 10 30 AEEEHN C=C(C)C[C@H](NCC)c1cnccn1 86061035 572852448 /nfs/dbraw/zinc/85/24/48/572852448.db2.gz ZNNINBHCSJCBLI-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=C(CN(C(C)C)C1CC1)OC 308145621 572852572 /nfs/dbraw/zinc/85/25/72/572852572.db2.gz JYEGIRLXPNDMMZ-UHFFFAOYSA-N 0 3 169.268 2.019 10 30 AEEEHN C=CC[C@H](CC)N[C@@H](C)CC#N 307960429 572853112 /nfs/dbraw/zinc/85/31/12/572853112.db2.gz WALISSOIYIASPI-UWVGGRQHSA-N 0 3 166.268 2.233 10 30 AEEEHN C=C(C)C[C@H](NC)c1ccccn1 86060742 572853395 /nfs/dbraw/zinc/85/33/95/572853395.db2.gz MEFMRKFWMMOSAW-NSHDSACASA-N 0 3 176.263 2.308 10 30 AEEEHN C=C(C)C[C@H](NCC)c1ccncn1 86061725 572853404 /nfs/dbraw/zinc/85/34/04/572853404.db2.gz IZZZDJBCYUZKSH-NSHDSACASA-N 0 3 191.278 2.093 10 30 AEEEHN CC(C)C1CC(N[C@@H](C)CC#N)C1 308146550 572858207 /nfs/dbraw/zinc/85/82/07/572858207.db2.gz LYDGKHIXUJWGGV-WHXUTIOJSA-N 0 3 180.295 2.313 10 30 AEEEHN C=C(Cl)CNCCCC(F)F 688712094 572859958 /nfs/dbraw/zinc/85/99/58/572859958.db2.gz KIVLNLJKUNRTIB-UHFFFAOYSA-N 0 3 183.629 2.374 10 30 AEEEHN C=C[C@H](F)[C@H](N)Cc1ccccc1 238598093 572860690 /nfs/dbraw/zinc/86/06/90/572860690.db2.gz DKONCMWNCNMIGG-WDEREUQCSA-N 0 3 179.238 2.081 10 30 AEEEHN C=C[C@@H](F)[C@H](N)Cc1ccccc1 238598318 572861222 /nfs/dbraw/zinc/86/12/22/572861222.db2.gz DKONCMWNCNMIGG-GHMZBOCLSA-N 0 3 179.238 2.081 10 30 AEEEHN C=CCN1CCS[C@@H]2CCC[C@@H]21 306942685 572862081 /nfs/dbraw/zinc/86/20/81/572862081.db2.gz ILZJRFOZXAMPMS-VHSXEESVSA-N 0 3 183.320 2.142 10 30 AEEEHN C=C[C@H](N)c1ccc(C#N)c2c1CCC2 238609039 572862529 /nfs/dbraw/zinc/86/25/29/572862529.db2.gz HDYWIADJAIDWHR-ZDUSSCGKSA-N 0 3 198.269 2.233 10 30 AEEEHN C=C[C@H](N)c1cc2cccc(C#N)c2[nH]1 238608654 572863306 /nfs/dbraw/zinc/86/33/06/572863306.db2.gz LUBQLHHURIQKAX-JTQLQIEISA-N 0 3 197.241 2.225 10 30 AEEEHN C=C[C@H](N)c1ccc2ccc(N)cc2n1 238610305 572863391 /nfs/dbraw/zinc/86/33/91/572863391.db2.gz PDVUKYCXZWDZFT-JTQLQIEISA-N 0 3 199.257 2.003 10 30 AEEEHN C=CCCCNc1nccn1CC 308154773 572865295 /nfs/dbraw/zinc/86/52/95/572865295.db2.gz SSEHQGDQOMFSGC-UHFFFAOYSA-N 0 3 179.267 2.281 10 30 AEEEHN N#Cc1cccc(-c2ccoc2CN)c1 236260285 572866998 /nfs/dbraw/zinc/86/69/98/572866998.db2.gz OGRNIUVIWKTJJU-UHFFFAOYSA-N 0 3 198.225 2.277 10 30 AEEEHN C=C[C@@H](C)N1C[C@H](C)S[C@H](C)C1 307004983 572867615 /nfs/dbraw/zinc/86/76/15/572867615.db2.gz DTVRAYHQURFFOA-BBBLOLIVSA-N 0 3 185.336 2.387 10 30 AEEEHN C=CCNCc1sccc1OC 307964730 572867996 /nfs/dbraw/zinc/86/79/96/572867996.db2.gz BGCWDOKZOANJEG-UHFFFAOYSA-N 0 3 183.276 2.032 10 30 AEEEHN C/C=C/C[C@](C)(C=O)N1CCCC1 75575770 572871115 /nfs/dbraw/zinc/87/11/15/572871115.db2.gz WCVSVSBQGLCDRJ-PGLGOXFNSA-N 0 3 181.279 2.006 10 30 AEEEHN C=C(CN(CC)CCCC)OC 307966701 572869812 /nfs/dbraw/zinc/86/98/12/572869812.db2.gz CJZQWIAQHWODRW-UHFFFAOYSA-N 0 3 171.284 2.269 10 30 AEEEHN C/C=C/C[C@@](C)(C=O)N1CCCC1 75575769 572869907 /nfs/dbraw/zinc/86/99/07/572869907.db2.gz WCVSVSBQGLCDRJ-UFFNRZRYSA-N 0 3 181.279 2.006 10 30 AEEEHN C#CCN(CCC)CC(=C)CC 307966399 572870356 /nfs/dbraw/zinc/87/03/56/572870356.db2.gz CFXDHNIJXFOTMU-UHFFFAOYSA-N 0 3 165.280 2.298 10 30 AEEEHN CCC(C=O)(CC)N1CCCCC1 75576344 572871066 /nfs/dbraw/zinc/87/10/66/572871066.db2.gz KVHMIPQWWJRWMU-UHFFFAOYSA-N 0 3 183.295 2.230 10 30 AEEEHN C=C[C@H]1CCCCN1CCC(C)=O 308155834 572871308 /nfs/dbraw/zinc/87/13/08/572871308.db2.gz RGDLUSSXIJSHAA-NSHDSACASA-N 0 3 181.279 2.006 10 30 AEEEHN C=C[C@@H](F)[C@@H](N)Cc1ccccc1 238613975 572871550 /nfs/dbraw/zinc/87/15/50/572871550.db2.gz DKONCMWNCNMIGG-MNOVXSKESA-N 0 3 179.238 2.081 10 30 AEEEHN C=C[C@H](F)[C@@H](N)Cc1ccccc1 238613798 572873297 /nfs/dbraw/zinc/87/32/97/572873297.db2.gz DKONCMWNCNMIGG-QWRGUYRKSA-N 0 3 179.238 2.081 10 30 AEEEHN C=C[C@H](NC)c1cc(C)cc(C)n1 307048149 572873656 /nfs/dbraw/zinc/87/36/56/572873656.db2.gz PFPHLYIIYLZIHI-JTQLQIEISA-N 0 3 176.263 2.145 10 30 AEEEHN CCSCCNCC#CC(C)(C)C 308162131 572876643 /nfs/dbraw/zinc/87/66/43/572876643.db2.gz XGGWPOSPTMWAJS-UHFFFAOYSA-N 0 3 199.363 2.379 10 30 AEEEHN C=C1CN2CCCC[C@H]2CN1C(C)C 307025908 572880340 /nfs/dbraw/zinc/88/03/40/572880340.db2.gz IDUYLBJYQGOZGB-LBPRGKRZSA-N 0 3 194.322 2.079 10 30 AEEEHN CC[C@@H]1CC[C@@H]1N[C@H](C)CC#N 307969854 572887954 /nfs/dbraw/zinc/88/79/54/572887954.db2.gz GDOAQTWHNCDRGO-BBBLOLIVSA-N 0 3 166.268 2.067 10 30 AEEEHN CC[C@@H]1CCC[C@H]1N[C@@H](C)CC#N 308169372 572888079 /nfs/dbraw/zinc/88/80/79/572888079.db2.gz ASLDVAIABWETGZ-HBNTYKKESA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@@H]1CCC[C@H]1N[C@H](C)CC#N 308169371 572888098 /nfs/dbraw/zinc/88/80/98/572888098.db2.gz ASLDVAIABWETGZ-GMTAPVOTSA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@@H]1CC[C@H]1N[C@@H](C)CC#N 307969856 572888168 /nfs/dbraw/zinc/88/81/68/572888168.db2.gz GDOAQTWHNCDRGO-IVZWLZJFSA-N 0 3 166.268 2.067 10 30 AEEEHN C=C[C@H](C)N1C[C@H](C)S[C@H](C)C1 307004989 572888332 /nfs/dbraw/zinc/88/83/32/572888332.db2.gz DTVRAYHQURFFOA-LPEHRKFASA-N 0 3 185.336 2.387 10 30 AEEEHN C#CCN1CCC(SC(C)C)CC1 307087244 572888657 /nfs/dbraw/zinc/88/86/57/572888657.db2.gz ZZNRHTVXKCEQDV-UHFFFAOYSA-N 0 3 197.347 2.226 10 30 AEEEHN CC[C@@H]1CC[C@@H]1N[C@@H](C)CC#N 307969853 572889349 /nfs/dbraw/zinc/88/93/49/572889349.db2.gz GDOAQTWHNCDRGO-AEJSXWLSSA-N 0 3 166.268 2.067 10 30 AEEEHN CC[C@@H]1CCC[C@@H]1N[C@H](C)CC#N 308169373 572889397 /nfs/dbraw/zinc/88/93/97/572889397.db2.gz ASLDVAIABWETGZ-MXWKQRLJSA-N 0 3 180.295 2.457 10 30 AEEEHN CCCN(CCC#N)C(C)(C)C 307979017 572890572 /nfs/dbraw/zinc/89/05/72/572890572.db2.gz LXWSPIFNWVZPDM-UHFFFAOYSA-N 0 3 168.284 2.411 10 30 AEEEHN C=C[C@@H](NC)c1cc(C)cc(C)n1 307048150 572892390 /nfs/dbraw/zinc/89/23/90/572892390.db2.gz PFPHLYIIYLZIHI-SNVBAGLBSA-N 0 3 176.263 2.145 10 30 AEEEHN C#C[C@H](C)NCc1csc(C)c1 307038744 572893414 /nfs/dbraw/zinc/89/34/14/572893414.db2.gz HNWASXPFJSHYFX-QMMMGPOBSA-N 0 3 179.288 2.168 10 30 AEEEHN CN(C)CC[C@@H](C#N)c1cccs1 75597181 572894106 /nfs/dbraw/zinc/89/41/06/572894106.db2.gz UZRLSAXSKBAEGZ-VIFPVBQESA-N 0 3 194.303 2.307 10 30 AEEEHN CN(C)CC[C@H](C#N)c1cccs1 75597182 572896012 /nfs/dbraw/zinc/89/60/12/572896012.db2.gz UZRLSAXSKBAEGZ-SECBINFHSA-N 0 3 194.303 2.307 10 30 AEEEHN C=CC[C@@H](N)c1nccc2cc[nH]c12 713773090 572897254 /nfs/dbraw/zinc/89/72/54/572897254.db2.gz QICIMWRISJEREF-SECBINFHSA-N 0 3 187.246 2.139 10 30 AEEEHN C[C@H](C#N)CNCC1C(C)(C)C1(C)C 86240085 572898266 /nfs/dbraw/zinc/89/82/66/572898266.db2.gz WXYYUGDRLQZYCP-SECBINFHSA-N 0 3 194.322 2.418 10 30 AEEEHN C=CC[C@H](N)c1nccc2cc[nH]c12 713773093 572898485 /nfs/dbraw/zinc/89/84/85/572898485.db2.gz QICIMWRISJEREF-VIFPVBQESA-N 0 3 187.246 2.139 10 30 AEEEHN C[C@@H](C#N)CNCC1C(C)(C)C1(C)C 86240086 572898523 /nfs/dbraw/zinc/89/85/23/572898523.db2.gz WXYYUGDRLQZYCP-VIFPVBQESA-N 0 3 194.322 2.418 10 30 AEEEHN CSCCC[C@@]1(C#N)CCCNC1 308177838 572901592 /nfs/dbraw/zinc/90/15/92/572901592.db2.gz GCHIRRNIEDCLPY-SNVBAGLBSA-N 0 3 198.335 2.023 10 30 AEEEHN C#CCN(CC(=C)CC)CC1CC1 308173917 572901826 /nfs/dbraw/zinc/90/18/26/572901826.db2.gz DPEGMRSHWBKIOE-UHFFFAOYSA-N 0 3 177.291 2.298 10 30 AEEEHN CSCCC[C@]1(C#N)CCCNC1 308177834 572902095 /nfs/dbraw/zinc/90/20/95/572902095.db2.gz GCHIRRNIEDCLPY-JTQLQIEISA-N 0 3 198.335 2.023 10 30 AEEEHN C=CCN(CCC(=O)CC)C(C)C 308178484 572904539 /nfs/dbraw/zinc/90/45/39/572904539.db2.gz GGXDFKFDQKGHLQ-UHFFFAOYSA-N 0 3 183.295 2.252 10 30 AEEEHN C=CCCC[C@@H](N)c1coc(C)n1 308183545 572906123 /nfs/dbraw/zinc/90/61/23/572906123.db2.gz IKQTYQSOVGAVFW-SECBINFHSA-N 0 3 180.251 2.339 10 30 AEEEHN C=CCCC[C@H](N)c1coc(C)n1 308183546 572906170 /nfs/dbraw/zinc/90/61/70/572906170.db2.gz IKQTYQSOVGAVFW-VIFPVBQESA-N 0 3 180.251 2.339 10 30 AEEEHN CSC1(CN[C@@H](C)[C@H](C)C#N)CC1 308183742 572906611 /nfs/dbraw/zinc/90/66/11/572906611.db2.gz HWHKIPAWQLRUNA-BDAKNGLRSA-N 0 3 198.335 2.020 10 30 AEEEHN C=CCCN(C)C[C@@H](F)CC 307917415 572907097 /nfs/dbraw/zinc/90/70/97/572907097.db2.gz BVXSFFIQWBXZNH-VIFPVBQESA-N 0 3 159.248 2.242 10 30 AEEEHN CSC1(CN[C@@H](C)[C@@H](C)C#N)CC1 308183744 572907194 /nfs/dbraw/zinc/90/71/94/572907194.db2.gz HWHKIPAWQLRUNA-IUCAKERBSA-N 0 3 198.335 2.020 10 30 AEEEHN CSC1(CN[C@H](C)[C@H](C)C#N)CC1 308183745 572907350 /nfs/dbraw/zinc/90/73/50/572907350.db2.gz HWHKIPAWQLRUNA-RKDXNWHRSA-N 0 3 198.335 2.020 10 30 AEEEHN C[C@@H](CC#N)N1CCC[C@@H](C)[C@H]1C 50564802 572907610 /nfs/dbraw/zinc/90/76/10/572907610.db2.gz SJYLEDUKCVNLQT-OUAUKWLOSA-N 0 3 180.295 2.409 10 30 AEEEHN CSC1(CN[C@H](C)[C@@H](C)C#N)CC1 308183743 572907759 /nfs/dbraw/zinc/90/77/59/572907759.db2.gz HWHKIPAWQLRUNA-DTWKUNHWSA-N 0 3 198.335 2.020 10 30 AEEEHN C#CCN(CCCCCF)C1CC1 308184227 572909117 /nfs/dbraw/zinc/90/91/17/572909117.db2.gz IFUHHXLKEJZNIW-UHFFFAOYSA-N 0 3 183.270 2.224 10 30 AEEEHN C=CCNCc1cc2ccccc2[nH]1 116676727 572910339 /nfs/dbraw/zinc/91/03/39/572910339.db2.gz DKMGVBMNRGSEQR-UHFFFAOYSA-N 0 3 186.258 2.444 10 30 AEEEHN C=C([C@H](CC1CC1)NC)C(F)(F)F 308185649 572910875 /nfs/dbraw/zinc/91/08/75/572910875.db2.gz FLYALVHTAUCICG-QMMMGPOBSA-N 0 3 193.212 2.493 10 30 AEEEHN C=C([C@H](NC)[C@H]1C[C@H]1C)C(F)(F)F 308185581 572911319 /nfs/dbraw/zinc/91/13/19/572911319.db2.gz FJFVOJPBQHXKME-DTLFHODZSA-N 0 3 193.212 2.349 10 30 AEEEHN C=C([C@H](NC)[C@@H]1C[C@@H]1C)C(F)(F)F 308185580 572911553 /nfs/dbraw/zinc/91/15/53/572911553.db2.gz FJFVOJPBQHXKME-ARDNSNSESA-N 0 3 193.212 2.349 10 30 AEEEHN CCCC(C#N)C(=O)CC1CC1 86314346 572911822 /nfs/dbraw/zinc/91/18/22/572911822.db2.gz RFAMLLCZVXSURT-SECBINFHSA-N 0 3 165.236 2.295 10 30 AEEEHN C=C([C@@H](CC1CC1)NC)C(F)(F)F 308185647 572912276 /nfs/dbraw/zinc/91/22/76/572912276.db2.gz FLYALVHTAUCICG-MRVPVSSYSA-N 0 3 193.212 2.493 10 30 AEEEHN CCCC(C#N)C(=O)C[C@H]1CCCO1 86314478 572911970 /nfs/dbraw/zinc/91/19/70/572911970.db2.gz QTVYCPYGTONYTN-NXEZZACHSA-N 0 3 195.262 2.064 10 30 AEEEHN CCCC(C#N)C(=O)[C@@H]1C[C@@H]1C 86314292 572912154 /nfs/dbraw/zinc/91/21/54/572912154.db2.gz KDOHCWIDSWBXCJ-DJLDLDEBSA-N 0 3 165.236 2.151 10 30 AEEEHN C=C([C@H](NC)[C@@H]1C[C@H]1C)C(F)(F)F 308185583 572912285 /nfs/dbraw/zinc/91/22/85/572912285.db2.gz FJFVOJPBQHXKME-NJUXHZRNSA-N 0 3 193.212 2.349 10 30 AEEEHN C=C([C@H](NC)[C@H]1C[C@@H]1C)C(F)(F)F 308185582 572912334 /nfs/dbraw/zinc/91/23/34/572912334.db2.gz FJFVOJPBQHXKME-GEVIPFJHSA-N 0 3 193.212 2.349 10 30 AEEEHN CCCC(C#N)C(=O)c1ccoc1 86314328 572912504 /nfs/dbraw/zinc/91/25/04/572912504.db2.gz ZBZZLMNBICKPSB-MRVPVSSYSA-N 0 3 177.203 2.402 10 30 AEEEHN CCCC(C#N)C(=O)[C@H]1C[C@@H]1C 86314294 572912625 /nfs/dbraw/zinc/91/26/25/572912625.db2.gz KDOHCWIDSWBXCJ-YIZRAAEISA-N 0 3 165.236 2.151 10 30 AEEEHN CCCC(C#N)C(=O)c1ccoc1 86314327 572913023 /nfs/dbraw/zinc/91/30/23/572913023.db2.gz ZBZZLMNBICKPSB-QMMMGPOBSA-N 0 3 177.203 2.402 10 30 AEEEHN CCCC(C#N)C(=O)C[C@@H]1CCCO1 86314475 572913153 /nfs/dbraw/zinc/91/31/53/572913153.db2.gz QTVYCPYGTONYTN-UWVGGRQHSA-N 0 3 195.262 2.064 10 30 AEEEHN CCCC(C#N)C(=O)CC1CC1 86314345 572913368 /nfs/dbraw/zinc/91/33/68/572913368.db2.gz RFAMLLCZVXSURT-VIFPVBQESA-N 0 3 165.236 2.295 10 30 AEEEHN CCCC(C#N)C(=O)C[C@H]1CCCO1 86314477 572914612 /nfs/dbraw/zinc/91/46/12/572914612.db2.gz QTVYCPYGTONYTN-VHSXEESVSA-N 0 3 195.262 2.064 10 30 AEEEHN CC(C)(C#N)CNC1CC(C2CC2)C1 714599015 572918167 /nfs/dbraw/zinc/91/81/67/572918167.db2.gz PIUZVIFJWACYSL-UHFFFAOYSA-N 0 3 192.306 2.314 10 30 AEEEHN C=CCCN[C@H](C=C)c1cccnc1 238058730 572918504 /nfs/dbraw/zinc/91/85/04/572918504.db2.gz AYPFECUCQPNOKR-GFCCVEGCSA-N 0 3 188.274 2.474 10 30 AEEEHN C#CCN[C@@H](C=C)CCCC=C 238055488 572919300 /nfs/dbraw/zinc/91/93/00/572919300.db2.gz OOGBUBJRNLIERJ-NSHDSACASA-N 0 3 163.264 2.120 10 30 AEEEHN C=CCCN[C@@H](C=C)c1cccnc1 238058646 572919611 /nfs/dbraw/zinc/91/96/11/572919611.db2.gz AYPFECUCQPNOKR-LBPRGKRZSA-N 0 3 188.274 2.474 10 30 AEEEHN CC(C)(C)C[C@@H](C=O)N1CCCCC1 238067020 572919883 /nfs/dbraw/zinc/91/98/83/572919883.db2.gz OMSOPMJVMDJZKJ-NSHDSACASA-N 0 3 197.322 2.476 10 30 AEEEHN C#CCN[C@@H](/C=C/C)C(C)(C)C 238053269 572919951 /nfs/dbraw/zinc/91/99/51/572919951.db2.gz AKIPSYXPZRXEGA-PCGIRMHASA-N 0 3 165.280 2.200 10 30 AEEEHN CC(C)(N)c1c(F)cc(C#N)cc1F 75927571 572920494 /nfs/dbraw/zinc/92/04/94/572920494.db2.gz UDLKSVKZZSGJKK-UHFFFAOYSA-N 0 3 196.200 2.030 10 30 AEEEHN C#C[C@H](CCc1ccccc1)NCC=C 238073880 572920709 /nfs/dbraw/zinc/92/07/09/572920709.db2.gz DSLLWKYJGLEUGT-CQSZACIVSA-N 0 3 199.297 2.397 10 30 AEEEHN CC(C)(C)C[C@H](C=O)N1CCCCC1 238077496 572921069 /nfs/dbraw/zinc/92/10/69/572921069.db2.gz OMSOPMJVMDJZKJ-LLVKDONJSA-N 0 3 197.322 2.476 10 30 AEEEHN C=CCN[C@]1(CC=C)CCCCC1=O 238075215 572921513 /nfs/dbraw/zinc/92/15/13/572921513.db2.gz CBCZPVODHYVXRP-GFCCVEGCSA-N 0 3 193.290 2.220 10 30 AEEEHN CC(C)(N)c1c(F)ccc(F)c1C#N 75927564 572922027 /nfs/dbraw/zinc/92/20/27/572922027.db2.gz SOZAYVAFCYZPIE-UHFFFAOYSA-N 0 3 196.200 2.030 10 30 AEEEHN CC(C)(N)c1c(C#N)ccc(F)c1F 75927570 572922576 /nfs/dbraw/zinc/92/25/76/572922576.db2.gz MTPZDJCVXGXLTB-UHFFFAOYSA-N 0 3 196.200 2.030 10 30 AEEEHN C#C[C@@H](CCc1ccccc1)NCC=C 238074746 572922591 /nfs/dbraw/zinc/92/25/91/572922591.db2.gz DSLLWKYJGLEUGT-AWEZNQCLSA-N 0 3 199.297 2.397 10 30 AEEEHN CC(C)(N)c1c(F)ccc(C#N)c1F 75927561 572922683 /nfs/dbraw/zinc/92/26/83/572922683.db2.gz HCMUGFUPUVGELI-UHFFFAOYSA-N 0 3 196.200 2.030 10 30 AEEEHN CC(C)(N)c1c(F)cc(F)cc1C#N 75927574 572922760 /nfs/dbraw/zinc/92/27/60/572922760.db2.gz PRHVCPCELGGIEW-UHFFFAOYSA-N 0 3 196.200 2.030 10 30 AEEEHN C=C(C)CC[C@@H](N)c1coc(C)n1 308194696 572923674 /nfs/dbraw/zinc/92/36/74/572923674.db2.gz PZXAGRNMWRWLLO-SECBINFHSA-N 0 3 180.251 2.339 10 30 AEEEHN C=C(C)CC[C@H](N)c1coc(C)n1 308194697 572923792 /nfs/dbraw/zinc/92/37/92/572923792.db2.gz PZXAGRNMWRWLLO-VIFPVBQESA-N 0 3 180.251 2.339 10 30 AEEEHN C=CCSc1ccc([C@@H](C)N)nc1 308206645 572936447 /nfs/dbraw/zinc/93/64/47/572936447.db2.gz ZIVJCWZMHZWGMP-MRVPVSSYSA-N 0 3 194.303 2.379 10 30 AEEEHN C=C(CC)CN(CCOC)C1CC1 308196129 572938018 /nfs/dbraw/zinc/93/80/18/572938018.db2.gz RBHWDXZYMZZVMN-UHFFFAOYSA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCSc1ncc(CN)cc1C 308195250 572938335 /nfs/dbraw/zinc/93/83/35/572938335.db2.gz QOLFREZRSCOSGV-UHFFFAOYSA-N 0 3 194.303 2.127 10 30 AEEEHN C#CCN(C)[C@@H](C)Cc1cccs1 86441539 572939066 /nfs/dbraw/zinc/93/90/66/572939066.db2.gz GIRZZFYLXPPHAP-JTQLQIEISA-N 0 3 193.315 2.244 10 30 AEEEHN CC(C)C[C@@H](N)[C@H](C#N)C(C)C 238139655 572939560 /nfs/dbraw/zinc/93/95/60/572939560.db2.gz UPYRDBCSJVCZHL-NXEZZACHSA-N 0 3 168.284 2.156 10 30 AEEEHN C=CC[C@H](C)c1n[nH]cc1CNCC 86442742 572939645 /nfs/dbraw/zinc/93/96/45/572939645.db2.gz URSVLADOJRIBAT-VIFPVBQESA-N 0 3 193.294 2.199 10 30 AEEEHN C=Cc1ccccc1[C@H]1CNC[C@@H]1C#N 238133025 572939738 /nfs/dbraw/zinc/93/97/38/572939738.db2.gz JLEMNHYMXKUBON-AAEUAGOBSA-N 0 3 198.269 2.156 10 30 AEEEHN C=Cc1ccccc1[C@H]1CNC[C@H]1C#N 238133049 572939820 /nfs/dbraw/zinc/93/98/20/572939820.db2.gz JLEMNHYMXKUBON-YPMHNXCESA-N 0 3 198.269 2.156 10 30 AEEEHN C=CC[C@@H](C)c1n[nH]cc1CNCC 86442747 572939879 /nfs/dbraw/zinc/93/98/79/572939879.db2.gz URSVLADOJRIBAT-SECBINFHSA-N 0 3 193.294 2.199 10 30 AEEEHN N#Cc1ccc(NC2=NCCCC2)cc1 86454454 572940998 /nfs/dbraw/zinc/94/09/98/572940998.db2.gz KNSCFHIZHDLANM-UHFFFAOYSA-N 0 3 199.257 2.362 10 30 AEEEHN C=Cc1cccc([C@H]2CNC[C@@H]2C#N)c1 238137807 572941175 /nfs/dbraw/zinc/94/11/75/572941175.db2.gz NVTOAEYFZBBJAZ-QWHCGFSZSA-N 0 3 198.269 2.156 10 30 AEEEHN C=Cc1cccc([C@@H]2CNC[C@H]2C#N)c1 238137524 572941813 /nfs/dbraw/zinc/94/18/13/572941813.db2.gz NVTOAEYFZBBJAZ-OLZOCXBDSA-N 0 3 198.269 2.156 10 30 AEEEHN N#CCc1ccc(NC2=NCCC2)cc1 86455365 572941957 /nfs/dbraw/zinc/94/19/57/572941957.db2.gz HENVMCTZZNOXAI-UHFFFAOYSA-N 0 3 199.257 2.357 10 30 AEEEHN C[C@](N)(C(=O)C1=CCCCC1)C1CC1 235423685 572945650 /nfs/dbraw/zinc/94/56/50/572945650.db2.gz KSCLUZBFTAOZIR-GFCCVEGCSA-N 0 3 193.290 2.183 10 30 AEEEHN C=CCN1CCCC[C@H]1CC(C)=O 86499145 572946578 /nfs/dbraw/zinc/94/65/78/572946578.db2.gz SURRPMRPHJPHBY-NSHDSACASA-N 0 3 181.279 2.006 10 30 AEEEHN CN(CC=NO)C1CCCCCC1 714615394 572949840 /nfs/dbraw/zinc/94/98/40/572949840.db2.gz HBPGZJULDYXHDP-UHFFFAOYSA-N 0 3 184.283 2.101 10 30 AEEEHN C=C[C@H](N)c1cc2occc2n1CC 713793970 572949984 /nfs/dbraw/zinc/94/99/84/572949984.db2.gz DLMXZWAINGDIOH-QMMMGPOBSA-N 0 3 190.246 2.440 10 30 AEEEHN C=C[C@@H](N)c1cc2occc2n1CC 713793967 572950305 /nfs/dbraw/zinc/95/03/05/572950305.db2.gz DLMXZWAINGDIOH-MRVPVSSYSA-N 0 3 190.246 2.440 10 30 AEEEHN CC(C)=CCCCN1CCC[C@@H]1C=O 238144727 572954915 /nfs/dbraw/zinc/95/49/15/572954915.db2.gz XRULMAAERDNMOP-GFCCVEGCSA-N 0 3 195.306 2.396 10 30 AEEEHN C=C[C@@H](N)c1cccnc1OC(C)C 238167098 572961135 /nfs/dbraw/zinc/96/11/35/572961135.db2.gz LLTGZUAUHPQLTD-SNVBAGLBSA-N 0 3 192.262 2.055 10 30 AEEEHN C=CCNCc1cc(C)n(CC)c1C 86592041 572965302 /nfs/dbraw/zinc/96/53/02/572965302.db2.gz NZQJDQYPBZFZPI-UHFFFAOYSA-N 0 3 192.306 2.400 10 30 AEEEHN CC1(C)CN(CCCCC#N)C1 86681690 572972541 /nfs/dbraw/zinc/97/25/41/572972541.db2.gz VIYZQISZJFFTQT-UHFFFAOYSA-N 0 3 166.268 2.022 10 30 AEEEHN N#CCCCCN1CC2(CCC2)C1 86681667 572972851 /nfs/dbraw/zinc/97/28/51/572972851.db2.gz ZVPWBGQJUNORKO-UHFFFAOYSA-N 0 3 178.279 2.166 10 30 AEEEHN CCC1(CC)CN(CCCC#N)C1 86681314 572973460 /nfs/dbraw/zinc/97/34/60/572973460.db2.gz TYSRNXCCNWEBPA-UHFFFAOYSA-N 0 3 180.295 2.412 10 30 AEEEHN CCCC1CN(CCCC#N)C1 86681330 572973583 /nfs/dbraw/zinc/97/35/83/572973583.db2.gz WSHXBRAFJUCOSI-UHFFFAOYSA-N 0 3 166.268 2.022 10 30 AEEEHN CC(C)(C)C1CN(CCCC#N)C1 86681296 572973790 /nfs/dbraw/zinc/97/37/90/572973790.db2.gz QPKZINCUVZWQNP-UHFFFAOYSA-N 0 3 180.295 2.268 10 30 AEEEHN C=CCC[C@@H](NC)c1ccc(F)cn1 86706703 572976947 /nfs/dbraw/zinc/97/69/47/572976947.db2.gz DETYOZCMGPAGDE-SNVBAGLBSA-N 0 3 194.253 2.447 10 30 AEEEHN C=CC[C@@H](NC)c1ccc(F)cn1 86706856 572976604 /nfs/dbraw/zinc/97/66/04/572976604.db2.gz IGLPUUQWMXCQRD-SECBINFHSA-N 0 3 180.226 2.057 10 30 AEEEHN C=CC[C@H](N)C(=O)C1=CCCCCC1 236304120 572977199 /nfs/dbraw/zinc/97/71/99/572977199.db2.gz BYZHRBOHZWWIQQ-NSHDSACASA-N 0 3 193.290 2.349 10 30 AEEEHN C=CCC[C@H](NC)c1ccc(F)cn1 86706701 572977372 /nfs/dbraw/zinc/97/73/72/572977372.db2.gz DETYOZCMGPAGDE-JTQLQIEISA-N 0 3 194.253 2.447 10 30 AEEEHN C=CC[C@H](NC)c1ccc(F)cn1 86706851 572977378 /nfs/dbraw/zinc/97/73/78/572977378.db2.gz IGLPUUQWMXCQRD-VIFPVBQESA-N 0 3 180.226 2.057 10 30 AEEEHN CC(C)C[C@H](N)[C@@H](C#N)C(C)C 238192276 572977386 /nfs/dbraw/zinc/97/73/86/572977386.db2.gz UPYRDBCSJVCZHL-UWVGGRQHSA-N 0 3 168.284 2.156 10 30 AEEEHN CCCCCC/C=N/n1cnnc1 238188646 572977416 /nfs/dbraw/zinc/97/74/16/572977416.db2.gz GNWXQJPYCVFICQ-KPKJPENVSA-N 0 3 180.255 2.082 10 30 AEEEHN CCCCCN[C@@H](C=O)CC(C)C 238190540 572977442 /nfs/dbraw/zinc/97/74/42/572977442.db2.gz PBDIMMGIYMEDDE-LLVKDONJSA-N 0 3 185.311 2.380 10 30 AEEEHN CCCCCN[C@H](C=O)CC(C)C 238190102 572977469 /nfs/dbraw/zinc/97/74/69/572977469.db2.gz PBDIMMGIYMEDDE-NSHDSACASA-N 0 3 185.311 2.380 10 30 AEEEHN C=CCN(C)C/C=C/c1ccco1 308220809 572992632 /nfs/dbraw/zinc/99/26/32/572992632.db2.gz CGXXEINIBCWFHU-GQCTYLIASA-N 0 3 177.247 2.411 10 30 AEEEHN C=CCN(C)C/C=C\c1ccco1 308220812 572992954 /nfs/dbraw/zinc/99/29/54/572992954.db2.gz CGXXEINIBCWFHU-XQRVVYSFSA-N 0 3 177.247 2.411 10 30 AEEEHN CCCN1CCC[C@@H](C#N)C1(C)C 259302847 572995724 /nfs/dbraw/zinc/99/57/24/572995724.db2.gz HPENCVBVGUJXMF-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN CCC[C@H](N)c1c(F)cccc1C#N 238242111 572996510 /nfs/dbraw/zinc/99/65/10/572996510.db2.gz INYYAHWNZOQELQ-JTQLQIEISA-N 0 3 192.237 2.497 10 30 AEEEHN CCCN1CCC[C@H](C#N)C1(C)C 259302852 572997401 /nfs/dbraw/zinc/99/74/01/572997401.db2.gz HPENCVBVGUJXMF-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN N#CCC[C@@H](N)c1cccs1 104526017 572998421 /nfs/dbraw/zinc/99/84/21/572998421.db2.gz XXHPLNXSGAJAHP-SSDOTTSWSA-N 0 3 166.249 2.052 10 30 AEEEHN C=C(CC=O)[C@H]1CCCCN1CC 258212259 573002280 /nfs/dbraw/zinc/00/22/80/573002280.db2.gz OBMVYZORGBMOIY-LLVKDONJSA-N 0 3 181.279 2.006 10 30 AEEEHN CCC[C@H](N)c1cc(F)ccc1C#N 238244942 573002493 /nfs/dbraw/zinc/00/24/93/573002493.db2.gz GWBDXLWCWJMKSI-NSHDSACASA-N 0 3 192.237 2.497 10 30 AEEEHN C=CCN1CC[C@H](C#N)C(C)(C)C1 259307669 573004382 /nfs/dbraw/zinc/00/43/82/573004382.db2.gz QDHIOXWGDORIPW-SNVBAGLBSA-N 0 3 178.279 2.044 10 30 AEEEHN C=CCN1CC[C@@H](C#N)C(C)(C)C1 259307666 573008959 /nfs/dbraw/zinc/00/89/59/573008959.db2.gz QDHIOXWGDORIPW-JTQLQIEISA-N 0 3 178.279 2.044 10 30 AEEEHN CC(C)N1CCC[C@H](C#N)C1(C)C 259308642 573010491 /nfs/dbraw/zinc/01/04/91/573010491.db2.gz HUHDEKVJPXSPTA-SNVBAGLBSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H]1CCC[C@@H]1N(C)CCC#N 308221934 573010948 /nfs/dbraw/zinc/01/09/48/573010948.db2.gz LQSMIUGIKLZIPB-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H](C#N)[C@@H](C(C)C)N(C)C 259308595 573011183 /nfs/dbraw/zinc/01/11/83/573011183.db2.gz DGKNKCDMWLZKEO-VHSXEESVSA-N 0 3 168.284 2.122 10 30 AEEEHN CC[C@H](C#N)[C@@H](C(C)C)N(C)C 259308586 573011776 /nfs/dbraw/zinc/01/17/76/573011776.db2.gz DGKNKCDMWLZKEO-NXEZZACHSA-N 0 3 168.284 2.122 10 30 AEEEHN CC[C@H](C#N)[C@H](C(C)C)N(C)C 259308600 573011861 /nfs/dbraw/zinc/01/18/61/573011861.db2.gz DGKNKCDMWLZKEO-ZJUUUORDSA-N 0 3 168.284 2.122 10 30 AEEEHN CC[C@@H]1CCC[C@@H]1N(C)CCC#N 308221932 573011971 /nfs/dbraw/zinc/01/19/71/573011971.db2.gz LQSMIUGIKLZIPB-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)N1CCC[C@@H](C#N)C1(C)C 259308636 573012494 /nfs/dbraw/zinc/01/24/94/573012494.db2.gz HUHDEKVJPXSPTA-JTQLQIEISA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H](CC1CC1)N(C)C[C@@H](C)C#N 308226619 573018037 /nfs/dbraw/zinc/01/80/37/573018037.db2.gz DYRVWBZTWJHKCZ-UWVGGRQHSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN(C)[C@H](C)CC1CC1 308226618 573019503 /nfs/dbraw/zinc/01/95/03/573019503.db2.gz DYRVWBZTWJHKCZ-NXEZZACHSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@@H](C#N)CN(C)[C@H](C)CC1CC1 308226620 573020120 /nfs/dbraw/zinc/02/01/20/573020120.db2.gz DYRVWBZTWJHKCZ-VHSXEESVSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN(C)[C@@H](C)CC1CC1 308226622 573020599 /nfs/dbraw/zinc/02/05/99/573020599.db2.gz DYRVWBZTWJHKCZ-ZJUUUORDSA-N 0 3 180.295 2.266 10 30 AEEEHN CC(C)[C@@H]1CCCN1[C@@H](C)CC#N 82403695 573022532 /nfs/dbraw/zinc/02/25/32/573022532.db2.gz IZRAXFYVYYIWDC-QWRGUYRKSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1CC[C@H]2C[C@H]21 308227722 573025577 /nfs/dbraw/zinc/02/55/77/573025577.db2.gz RKYSUVVSIIHLQN-LNFKQOIKSA-N 0 3 178.279 2.067 10 30 AEEEHN C=C[C@H](N)c1ccc(N)c(Cl)c1 104574285 573026364 /nfs/dbraw/zinc/02/63/64/573026364.db2.gz YYCGDHNOGSGOIV-QMMMGPOBSA-N 0 3 182.654 2.108 10 30 AEEEHN CC(C)[C@H]1CCCN1[C@@H](C)CC#N 82403696 573026452 /nfs/dbraw/zinc/02/64/52/573026452.db2.gz IZRAXFYVYYIWDC-WDEREUQCSA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C#N)C(=O)C(C1CC1)C1CC1 308232361 573026989 /nfs/dbraw/zinc/02/69/89/573026989.db2.gz UDMXGJNKOYIKBM-ZETCQYMHSA-N 0 3 177.247 2.151 10 30 AEEEHN CN1CCC[C@H]([C@]2(C#N)CC2(C)C)C1 259034292 573029279 /nfs/dbraw/zinc/02/92/79/573029279.db2.gz RVUHRMUIRDTHII-CMPLNLGQSA-N 0 3 192.306 2.268 10 30 AEEEHN Cc1cc(-n2cccc2C#N)cc(C)n1 308801876 573030576 /nfs/dbraw/zinc/03/05/76/573030576.db2.gz MZBHPSZPBMXWPO-UHFFFAOYSA-N 0 3 197.241 2.361 10 30 AEEEHN C=C[C@@H](N)c1c(C)cccc1OC 104579983 573031314 /nfs/dbraw/zinc/03/13/14/573031314.db2.gz XOPJGIMCDJKDPS-SECBINFHSA-N 0 3 177.247 2.189 10 30 AEEEHN CCC[C@H](N)c1cccc(C#N)c1F 238248369 573031358 /nfs/dbraw/zinc/03/13/58/573031358.db2.gz XLPBEDYALBULJR-JTQLQIEISA-N 0 3 192.237 2.497 10 30 AEEEHN CN1CCC[C@@H]([C@]2(C#N)CC2(C)C)C1 259034309 573033761 /nfs/dbraw/zinc/03/37/61/573033761.db2.gz RVUHRMUIRDTHII-ZYHUDNBSSA-N 0 3 192.306 2.268 10 30 AEEEHN CCP(CC)[C@H](C)CC=O 238262386 573039733 /nfs/dbraw/zinc/03/97/33/573039733.db2.gz TWBROMPGUVBNAQ-MRVPVSSYSA-N 0 3 160.197 2.486 10 30 AEEEHN CCC(CC)CN1CCCC[C@H]1C=O 128468029 573044722 /nfs/dbraw/zinc/04/47/22/573044722.db2.gz HOSIUEMSZOZEKT-LBPRGKRZSA-N 0 3 197.322 2.476 10 30 AEEEHN CCC(CC)CN1CCCC[C@@H]1C=O 128467756 573045166 /nfs/dbraw/zinc/04/51/66/573045166.db2.gz HOSIUEMSZOZEKT-GFCCVEGCSA-N 0 3 197.322 2.476 10 30 AEEEHN C=C1COc2ccccc2[C@H]1NCC 238258882 573045180 /nfs/dbraw/zinc/04/51/80/573045180.db2.gz UJQBQDKGUKDDRG-LBPRGKRZSA-N 0 3 189.258 2.286 10 30 AEEEHN C=CC[C@@H](NCC)c1nccn1CC 128578416 573046368 /nfs/dbraw/zinc/04/63/68/573046368.db2.gz NSKGATSOTPUOEM-SNVBAGLBSA-N 0 3 193.294 2.130 10 30 AEEEHN C[C@H](CC#N)NCC[C@@H]1CC[C@H]2C[C@@H]12 717089813 573049302 /nfs/dbraw/zinc/04/93/02/573049302.db2.gz OSOZFSDHWKRLEF-RHYQMDGZSA-N 0 3 192.306 2.314 10 30 AEEEHN CCP(CC)C[C@H](C)C=O 238262188 573052497 /nfs/dbraw/zinc/05/24/97/573052497.db2.gz SXRRCDBWHRJNII-MRVPVSSYSA-N 0 3 160.197 2.343 10 30 AEEEHN C[C@H](CC#N)NCC[C@@H]1CC[C@@H]2C[C@H]12 717089817 573054840 /nfs/dbraw/zinc/05/48/40/573054840.db2.gz OSOZFSDHWKRLEF-WRWGMCAJSA-N 0 3 192.306 2.314 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716546549 573056876 /nfs/dbraw/zinc/05/68/76/573056876.db2.gz PWIHLZPMPBIGSH-JZKKDOLYSA-N 0 3 185.698 2.373 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716546543 573057282 /nfs/dbraw/zinc/05/72/82/573057282.db2.gz PWIHLZPMPBIGSH-BEYHFKMWSA-N 0 3 185.698 2.373 10 30 AEEEHN CC[C@@H](N)c1cc(F)ccc1C#N 238274294 573057605 /nfs/dbraw/zinc/05/76/05/573057605.db2.gz AHYFDJBHEHHTFQ-SNVBAGLBSA-N 0 3 178.210 2.107 10 30 AEEEHN C#C[C@@](C)(NCC)c1ccccc1 238274732 573058956 /nfs/dbraw/zinc/05/89/56/573058956.db2.gz SQKATROKTDSHKG-GFCCVEGCSA-N 0 3 173.259 2.145 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716546550 573059582 /nfs/dbraw/zinc/05/95/82/573059582.db2.gz PWIHLZPMPBIGSH-PEBGCTIMSA-N 0 3 185.698 2.373 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716546553 573060029 /nfs/dbraw/zinc/06/00/29/573060029.db2.gz PWIHLZPMPBIGSH-XCWAXFADSA-N 0 3 185.698 2.373 10 30 AEEEHN C=CCNCc1cnc(CCC)s1 308244395 573060961 /nfs/dbraw/zinc/06/09/61/573060961.db2.gz UMUBRUDKHKQMCA-UHFFFAOYSA-N 0 3 196.319 2.371 10 30 AEEEHN CC[C@@H]1CC[C@@H](C=O)N2CCCC[C@@H]12 238264252 573063727 /nfs/dbraw/zinc/06/37/27/573063727.db2.gz MCEFGIUNCUGBFT-WOPDTQHZSA-N 0 3 195.306 2.228 10 30 AEEEHN C=C[C@H](C)N1CCC[C@@H](OCC)C1 308250299 573064565 /nfs/dbraw/zinc/06/45/65/573064565.db2.gz AYTFLDFZLNQYGV-WDEREUQCSA-N 0 3 183.295 2.062 10 30 AEEEHN CCNC(C)(C)C#Cc1ccccc1 238264674 573065711 /nfs/dbraw/zinc/06/57/11/573065711.db2.gz OQHIRYCLABUPCN-UHFFFAOYSA-N 0 3 187.286 2.426 10 30 AEEEHN CC[C@@H]1CC[C@H](C=O)N2CCCC[C@@H]12 238265502 573066167 /nfs/dbraw/zinc/06/61/67/573066167.db2.gz MCEFGIUNCUGBFT-UTUOFQBUSA-N 0 3 195.306 2.228 10 30 AEEEHN C[C@H]1CCCN(C[C@@H](C)C#N)CC1 82489330 573067364 /nfs/dbraw/zinc/06/73/64/573067364.db2.gz MCMQECOSRJSBIY-QWRGUYRKSA-N 0 3 180.295 2.268 10 30 AEEEHN C#C[C@H](NCc1ccc[nH]1)C(C)(C)C 308494835 573068371 /nfs/dbraw/zinc/06/83/71/573068371.db2.gz CWPOKFVVBNZLNH-NSHDSACASA-N 0 3 190.290 2.152 10 30 AEEEHN CC[C@@](C)(N)c1cc(C)ccc1C#N 306484575 573068968 /nfs/dbraw/zinc/06/89/68/573068968.db2.gz GHJOENQDCWSIMN-GFCCVEGCSA-N 0 3 188.274 2.451 10 30 AEEEHN CC[C@H](N)c1ncc(C#N)cc1Cl 238265808 573069020 /nfs/dbraw/zinc/06/90/20/573069020.db2.gz BTUDTSJVHAEIGC-QMMMGPOBSA-N 0 3 195.653 2.016 10 30 AEEEHN C#C[C@@H](NCc1ccc[nH]1)C(C)(C)C 308494833 573069281 /nfs/dbraw/zinc/06/92/81/573069281.db2.gz CWPOKFVVBNZLNH-LLVKDONJSA-N 0 3 190.290 2.152 10 30 AEEEHN C[C@@H](C#N)CN1CCC[C@@H](C)CC1 82489328 573069387 /nfs/dbraw/zinc/06/93/87/573069387.db2.gz MCMQECOSRJSBIY-MNOVXSKESA-N 0 3 180.295 2.268 10 30 AEEEHN CC[C@@H](N)c1c(C)cccc1C#N 238267655 573071846 /nfs/dbraw/zinc/07/18/46/573071846.db2.gz SYUUODTXJBINOR-SNVBAGLBSA-N 0 3 174.247 2.277 10 30 AEEEHN CC[C@@H](N)c1c(F)cccc1C#N 238268552 573072438 /nfs/dbraw/zinc/07/24/38/573072438.db2.gz YMLDITFWXFFGQJ-SECBINFHSA-N 0 3 178.210 2.107 10 30 AEEEHN C[C@H](c1cccs1)N(C)C[C@@H]1CO1 49726652 573073611 /nfs/dbraw/zinc/07/36/11/573073611.db2.gz QLUGGZVSOQDSDT-RKDXNWHRSA-N 0 3 197.303 2.140 10 30 AEEEHN C#CC[C@@H](NC)c1ccc(F)cc1C 88124384 573074188 /nfs/dbraw/zinc/07/41/88/573074188.db2.gz KNRRDRVXFNREOW-GFCCVEGCSA-N 0 3 191.249 2.418 10 30 AEEEHN CCCCCCCN(C)CC=NO 714626607 573075277 /nfs/dbraw/zinc/07/52/77/573075277.db2.gz ZYWLLKUPSBEVOH-UHFFFAOYSA-N 0 3 186.299 2.349 10 30 AEEEHN C[C@@H](c1cccs1)N(C)C[C@@H]1CO1 49726650 573075568 /nfs/dbraw/zinc/07/55/68/573075568.db2.gz QLUGGZVSOQDSDT-DTWKUNHWSA-N 0 3 197.303 2.140 10 30 AEEEHN CC[C@@H](N)c1cc(C#N)cs1 238270809 573076140 /nfs/dbraw/zinc/07/61/40/573076140.db2.gz YAVVSRBNCJUNLC-SSDOTTSWSA-N 0 3 166.249 2.030 10 30 AEEEHN CC[C@](C)(N)c1cc(C)ccc1C#N 306484576 573077785 /nfs/dbraw/zinc/07/77/85/573077785.db2.gz GHJOENQDCWSIMN-LBPRGKRZSA-N 0 3 188.274 2.451 10 30 AEEEHN CCC(C#N)C(=O)[C@@H]1Cc2ccccc21 85577264 573080976 /nfs/dbraw/zinc/08/09/76/573080976.db2.gz FSMPAUHTUBKDJK-BXKDBHETSA-N 0 3 199.253 2.445 10 30 AEEEHN CCC(C#N)C(=O)[C@H]1Cc2ccccc21 85577266 573082561 /nfs/dbraw/zinc/08/25/61/573082561.db2.gz FSMPAUHTUBKDJK-CABZTGNLSA-N 0 3 199.253 2.445 10 30 AEEEHN CCC(C#N)C(=O)[C@H]1Cc2ccccc21 85577270 573081644 /nfs/dbraw/zinc/08/16/44/573081644.db2.gz FSMPAUHTUBKDJK-SKDRFNHKSA-N 0 3 199.253 2.445 10 30 AEEEHN CCC(C#N)C(=O)[C@@H]1Cc2ccccc21 85577260 573081771 /nfs/dbraw/zinc/08/17/71/573081771.db2.gz FSMPAUHTUBKDJK-JOYOIKCWSA-N 0 3 199.253 2.445 10 30 AEEEHN C#C[C@H](NCc1cc[nH]c1)C(C)(C)C 308491304 573081896 /nfs/dbraw/zinc/08/18/96/573081896.db2.gz BRUFHMWGVNFDOB-NSHDSACASA-N 0 3 190.290 2.152 10 30 AEEEHN C[C@@H](CC#N)N(C)[C@H](C)C1CCC1 308252519 573083224 /nfs/dbraw/zinc/08/32/24/573083224.db2.gz IMVPIAIFLJJNOQ-VHSXEESVSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@@H](N)c1cc(C)c(F)cc1C#N 238271563 573084347 /nfs/dbraw/zinc/08/43/47/573084347.db2.gz YQTSJSLAUZJEKU-LLVKDONJSA-N 0 3 192.237 2.416 10 30 AEEEHN C=CCN[C@@H](C)c1cc(C)ccn1 308253152 573084681 /nfs/dbraw/zinc/08/46/81/573084681.db2.gz IVMHAKCKFOGDSG-JTQLQIEISA-N 0 3 176.263 2.227 10 30 AEEEHN C[C@@H](CC#N)N(C)[C@@H](C)C1CCC1 308252518 573085137 /nfs/dbraw/zinc/08/51/37/573085137.db2.gz IMVPIAIFLJJNOQ-UWVGGRQHSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@@H](N)c1cc(C)ccc1C#N 238272015 573085403 /nfs/dbraw/zinc/08/54/03/573085403.db2.gz JOHAEJLOESCLHL-LLVKDONJSA-N 0 3 174.247 2.277 10 30 AEEEHN C[C@@H](C1CCCC1)N(C)CCC#N 308252811 573085856 /nfs/dbraw/zinc/08/58/56/573085856.db2.gz ISALTTYFDGBQPJ-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H](C1CCC1)N(C)[C@H](C)CC#N 308252520 573086797 /nfs/dbraw/zinc/08/67/97/573086797.db2.gz IMVPIAIFLJJNOQ-ZJUUUORDSA-N 0 3 180.295 2.409 10 30 AEEEHN C=CCN[C@H](C)c1cc(C)ccn1 308253153 573086969 /nfs/dbraw/zinc/08/69/69/573086969.db2.gz IVMHAKCKFOGDSG-SNVBAGLBSA-N 0 3 176.263 2.227 10 30 AEEEHN C=C[C@@](C)(CC)[C@@H]1NCCS1 238275669 573088610 /nfs/dbraw/zinc/08/86/10/573088610.db2.gz RTEHPDVQJDWGOA-BDAKNGLRSA-N 0 3 171.309 2.251 10 30 AEEEHN C#C[C@@H](COC)N[C@H](C)CCC(C)C 308500250 573090673 /nfs/dbraw/zinc/09/06/73/573090673.db2.gz GEAOPKJBTBMWFP-NEPJUHHUSA-N 0 3 197.322 2.049 10 30 AEEEHN C=C[C@@](C)(CC)[C@H]1NCCS1 238275728 573091604 /nfs/dbraw/zinc/09/16/04/573091604.db2.gz RTEHPDVQJDWGOA-IUCAKERBSA-N 0 3 171.309 2.251 10 30 AEEEHN C#C[C@H](COC)N[C@@H](C)CCC(C)C 308500251 573092510 /nfs/dbraw/zinc/09/25/10/573092510.db2.gz GEAOPKJBTBMWFP-NWDGAFQWSA-N 0 3 197.322 2.049 10 30 AEEEHN C=C[C@H](C)CN(C)Cc1cncs1 308258922 573092366 /nfs/dbraw/zinc/09/23/66/573092366.db2.gz MLWGHOCQVBOOTN-VIFPVBQESA-N 0 3 196.319 2.397 10 30 AEEEHN CC[NH2+]CC([S-])(CC)CC 238273361 573093882 /nfs/dbraw/zinc/09/38/82/573093882.db2.gz FPNCTSRJIPBYEW-UHFFFAOYSA-N 0 3 161.314 2.085 10 30 AEEEHN C=CCN[C@@H](C)c1cncc(C)c1 308260677 573094712 /nfs/dbraw/zinc/09/47/12/573094712.db2.gz NEDRMBAYYXGURT-JTQLQIEISA-N 0 3 176.263 2.227 10 30 AEEEHN CCC[C@H](NC)C1(C#N)CCC1 259327537 573094776 /nfs/dbraw/zinc/09/47/76/573094776.db2.gz JWDFBHNFIOQJLC-VIFPVBQESA-N 0 3 166.268 2.068 10 30 AEEEHN C#C[C@H](COC)N[C@H](C)CCC(C)C 308500253 573094785 /nfs/dbraw/zinc/09/47/85/573094785.db2.gz GEAOPKJBTBMWFP-VXGBXAGGSA-N 0 3 197.322 2.049 10 30 AEEEHN C=CCN[C@H](C)c1cncc(C)c1 308260678 573095482 /nfs/dbraw/zinc/09/54/82/573095482.db2.gz NEDRMBAYYXGURT-SNVBAGLBSA-N 0 3 176.263 2.227 10 30 AEEEHN CCC[C@@H](NC)C1(C#N)CCC1 259327535 573096327 /nfs/dbraw/zinc/09/63/27/573096327.db2.gz JWDFBHNFIOQJLC-SECBINFHSA-N 0 3 166.268 2.068 10 30 AEEEHN C[C@@H](CC#N)N[C@H](C)CCC1CC1 308255199 573096428 /nfs/dbraw/zinc/09/64/28/573096428.db2.gz KFBDQETUBQXXCA-ZJUUUORDSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](CC#N)N[C@H](C)CCC1CC1 308255196 573096741 /nfs/dbraw/zinc/09/67/41/573096741.db2.gz KFBDQETUBQXXCA-NXEZZACHSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CC#N)N[C@@H](C)CCC1CC1 308255197 573099457 /nfs/dbraw/zinc/09/94/57/573099457.db2.gz KFBDQETUBQXXCA-UWVGGRQHSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CCC1CC1)N[C@H](C)CC#N 308255198 573099617 /nfs/dbraw/zinc/09/96/17/573099617.db2.gz KFBDQETUBQXXCA-VHSXEESVSA-N 0 3 180.295 2.457 10 30 AEEEHN CN(C)[C@H]1CCc2c1csc2C#N 259326989 573100014 /nfs/dbraw/zinc/10/00/14/573100014.db2.gz KSRHKEKUXQXDDF-VIFPVBQESA-N 0 3 192.287 2.169 10 30 AEEEHN C=CC[C@H](C)[C@@H](C)N(C)CCC#N 308256980 573101300 /nfs/dbraw/zinc/10/13/00/573101300.db2.gz LFFCEBONLPPVQU-WDEREUQCSA-N 0 3 180.295 2.433 10 30 AEEEHN C=CC[C@H](C)[C@H](C)N(C)CCC#N 308256979 573102937 /nfs/dbraw/zinc/10/29/37/573102937.db2.gz LFFCEBONLPPVQU-QWRGUYRKSA-N 0 3 180.295 2.433 10 30 AEEEHN C=CC[C@@H](C)[C@H](C)N(C)CCC#N 308256978 573103833 /nfs/dbraw/zinc/10/38/33/573103833.db2.gz LFFCEBONLPPVQU-MNOVXSKESA-N 0 3 180.295 2.433 10 30 AEEEHN CC1CCC(CN(C)CC=NO)CC1 714629181 573106369 /nfs/dbraw/zinc/10/63/69/573106369.db2.gz AZWAZNNSYIEEFU-UHFFFAOYSA-N 0 3 198.310 2.205 10 30 AEEEHN C=C[C@H](C)CN(C)Cc1ccc[nH]1 308264023 573109707 /nfs/dbraw/zinc/10/97/07/573109707.db2.gz OWOTVACUPFEZRJ-JTQLQIEISA-N 0 3 178.279 2.269 10 30 AEEEHN CCCCCC(CCC)N=NC(=N)N 308262733 573109747 /nfs/dbraw/zinc/10/97/47/573109747.db2.gz NYJRINTYEJCJDE-UHFFFAOYSA-N 0 3 198.314 2.206 10 30 AEEEHN CC[C@@H](N)c1cnc(Cl)cc1C#N 238285386 573112328 /nfs/dbraw/zinc/11/23/28/573112328.db2.gz LCZNRULLVOHSEY-MRVPVSSYSA-N 0 3 195.653 2.016 10 30 AEEEHN CC[C@@H](N)c1cscc1C#N 238286780 573113338 /nfs/dbraw/zinc/11/33/38/573113338.db2.gz LDKFWCKNIIFTLT-MRVPVSSYSA-N 0 3 166.249 2.030 10 30 AEEEHN C[C@H](NC1(C2CC2)CC1)[C@@H](C)C#N 308261506 573113594 /nfs/dbraw/zinc/11/35/94/573113594.db2.gz NOCSTMBWZXMBNM-IUCAKERBSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@H](C#N)[C@H](C)NC1(C2CC2)CC1 308261504 573114261 /nfs/dbraw/zinc/11/42/61/573114261.db2.gz NOCSTMBWZXMBNM-BDAKNGLRSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H](C#N)[C@@H](C)NC1(C2CC2)CC1 308261505 573114639 /nfs/dbraw/zinc/11/46/39/573114639.db2.gz NOCSTMBWZXMBNM-DTWKUNHWSA-N 0 3 178.279 2.067 10 30 AEEEHN C=C[C@](C)(CC)[C@H]1NCCS1 238287346 573116127 /nfs/dbraw/zinc/11/61/27/573116127.db2.gz RTEHPDVQJDWGOA-DTWKUNHWSA-N 0 3 171.309 2.251 10 30 AEEEHN CC[C@@H](N)c1ncc(C#N)cc1Cl 238287185 573116399 /nfs/dbraw/zinc/11/63/99/573116399.db2.gz BTUDTSJVHAEIGC-MRVPVSSYSA-N 0 3 195.653 2.016 10 30 AEEEHN CC[C@@H]1CCCC[C@@H]1N(C)CC=NO 714631310 573117265 /nfs/dbraw/zinc/11/72/65/573117265.db2.gz MTDWVFAYSXWXEC-MNOVXSKESA-N 0 3 198.310 2.347 10 30 AEEEHN C#CCNCc1c(C)oc2ccccc12 128719940 573117493 /nfs/dbraw/zinc/11/74/93/573117493.db2.gz HCGBOAFSNGUFTJ-UHFFFAOYSA-N 0 3 199.253 2.464 10 30 AEEEHN CC[C@H]1CCCC[C@@H]1N(C)CC=NO 714631315 573118043 /nfs/dbraw/zinc/11/80/43/573118043.db2.gz MTDWVFAYSXWXEC-QWRGUYRKSA-N 0 3 198.310 2.347 10 30 AEEEHN CC[C@H]1CCCC[C@H]1N(C)CC=NO 714631317 573118751 /nfs/dbraw/zinc/11/87/51/573118751.db2.gz MTDWVFAYSXWXEC-WDEREUQCSA-N 0 3 198.310 2.347 10 30 AEEEHN C#CCN[C@H](c1cccnc1)C(C)C 131949851 573119843 /nfs/dbraw/zinc/11/98/43/573119843.db2.gz PWINRQUUKZWZHH-LBPRGKRZSA-N 0 3 188.274 2.002 10 30 AEEEHN CCN=CNc1ccc(C)cc1 238281042 573121359 /nfs/dbraw/zinc/12/13/59/573121359.db2.gz QGZIOZLGGVLSHZ-UHFFFAOYSA-N 0 3 162.236 2.455 10 30 AEEEHN C=CCN(CC)CCOC1CCC1 308227545 573124111 /nfs/dbraw/zinc/12/41/11/573124111.db2.gz NNFMHTIOZPHKRF-UHFFFAOYSA-N 0 3 183.295 2.063 10 30 AEEEHN C#C[C@](C)(CC)N[C@](C)(C#C)CC 238288848 573125681 /nfs/dbraw/zinc/12/56/81/573125681.db2.gz TXJINXCQNLWYKK-VXGBXAGGSA-N 0 3 177.291 2.180 10 30 AEEEHN CCCC(=N)Nc1cccnc1C 85728567 573127195 /nfs/dbraw/zinc/12/71/95/573127195.db2.gz JZXSEDXYSJGTDK-UHFFFAOYSA-N 0 3 177.251 2.179 10 30 AEEEHN Cc1ncccc1NC(=N)C(C)(C)C 85728593 573129193 /nfs/dbraw/zinc/12/91/93/573129193.db2.gz GYUZCMORCMGYFH-UHFFFAOYSA-N 0 3 191.278 2.425 10 30 AEEEHN Cc1ncccc1NC(=N)C(C)C 85728581 573130172 /nfs/dbraw/zinc/13/01/72/573130172.db2.gz BYZJRBQHOVJQJS-UHFFFAOYSA-N 0 3 177.251 2.035 10 30 AEEEHN CN[C@H](CS)c1ccc(F)cc1 259336794 573130562 /nfs/dbraw/zinc/13/05/62/573130562.db2.gz YWPNUVVHZJQBJV-SECBINFHSA-N 0 3 185.267 2.016 10 30 AEEEHN Cc1ccc(C(C#N)c2cccnn2)o1 259339470 573133199 /nfs/dbraw/zinc/13/31/99/573133199.db2.gz YXNDMIQJGCWLKF-SECBINFHSA-N 0 3 199.213 2.034 10 30 AEEEHN Cc1ccc(C(C#N)c2cccnn2)o1 259339472 573134033 /nfs/dbraw/zinc/13/40/33/573134033.db2.gz YXNDMIQJGCWLKF-VIFPVBQESA-N 0 3 199.213 2.034 10 30 AEEEHN CN[C@@H](CS)c1ccc(F)cc1 259336796 573134296 /nfs/dbraw/zinc/13/42/96/573134296.db2.gz YWPNUVVHZJQBJV-VIFPVBQESA-N 0 3 185.267 2.016 10 30 AEEEHN C=CC(=O)C1(N(C)C)CCCCCC1 85754049 573134383 /nfs/dbraw/zinc/13/43/83/573134383.db2.gz AHKRTBUMBYJLOY-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN C=CC(=O)C(C)(C)N1CCCCC1 85741052 573134688 /nfs/dbraw/zinc/13/46/88/573134688.db2.gz IJWZOGSTFPSHOH-UHFFFAOYSA-N 0 3 181.279 2.006 10 30 AEEEHN C=CC(=O)[C@]1(N(C)C)CCC[C@H](C)C1 85753580 573135351 /nfs/dbraw/zinc/13/53/51/573135351.db2.gz ADRAWKDBCWRKTD-JQWIXIFHSA-N 0 3 195.306 2.252 10 30 AEEEHN C=CCC(=O)C(C)(C)N(CC)CC 85738548 573136075 /nfs/dbraw/zinc/13/60/75/573136075.db2.gz JMDZGSGXBICBQN-UHFFFAOYSA-N 0 3 183.295 2.252 10 30 AEEEHN C=CC(=O)C(C)(C)N1CCCCCC1 85742603 573136084 /nfs/dbraw/zinc/13/60/84/573136084.db2.gz KFQIGRKKDXTLIC-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN C=C[C@@H](N)c1cc(C)nc(Cl)c1 104660160 573136442 /nfs/dbraw/zinc/13/64/42/573136442.db2.gz OIIQJQKJWSFFJH-MRVPVSSYSA-N 0 3 182.654 2.229 10 30 AEEEHN C=CC(=O)C1(N(C)C)CCCCC1 85752899 573136584 /nfs/dbraw/zinc/13/65/84/573136584.db2.gz LKRTYWZUQKEDSW-UHFFFAOYSA-N 0 3 181.279 2.006 10 30 AEEEHN C=CC(=O)[C@@]1(N(C)C)CCC[C@@H](C)C1 85753575 573136814 /nfs/dbraw/zinc/13/68/14/573136814.db2.gz ADRAWKDBCWRKTD-ZYHUDNBSSA-N 0 3 195.306 2.252 10 30 AEEEHN C=CC(=O)[C@@]1(N(C)C)CCC[C@H](C)C1 85753577 573137074 /nfs/dbraw/zinc/13/70/74/573137074.db2.gz ADRAWKDBCWRKTD-CMPLNLGQSA-N 0 3 195.306 2.252 10 30 AEEEHN C=CC(=O)[C@]1(N(C)C)CCC[C@@H](C)C1 85753579 573138221 /nfs/dbraw/zinc/13/82/21/573138221.db2.gz ADRAWKDBCWRKTD-PWSUYJOCSA-N 0 3 195.306 2.252 10 30 AEEEHN C=CC(=O)C1(N(C)C)CCC(C)CC1 85753308 573138257 /nfs/dbraw/zinc/13/82/57/573138257.db2.gz VGGCHVIAIBOLDM-UHFFFAOYSA-N 0 3 195.306 2.252 10 30 AEEEHN C[C@@](N)(C(=O)C1=CCCCC1)C1CC1 235720464 573139091 /nfs/dbraw/zinc/13/90/91/573139091.db2.gz KSCLUZBFTAOZIR-LBPRGKRZSA-N 0 3 193.290 2.183 10 30 AEEEHN C[C@H]1CCN([C@@H]2CCC[C@@H]2C#N)C1 40718225 573140725 /nfs/dbraw/zinc/14/07/25/573140725.db2.gz RIUIYMKZOAQLTH-HBNTYKKESA-N 0 3 178.279 2.020 10 30 AEEEHN CC(C)[C@@H]1CC[C@H]1NCC1(C#N)CC1 308503309 573142205 /nfs/dbraw/zinc/14/22/05/573142205.db2.gz HPDZTMMGOCGENK-WDEREUQCSA-N 0 3 192.306 2.314 10 30 AEEEHN N#C[C@]1(CCCCCF)CCCNC1 308507713 573142899 /nfs/dbraw/zinc/14/28/99/573142899.db2.gz ZZBYYNJFZMNDRR-NSHDSACASA-N 0 3 198.285 2.410 10 30 AEEEHN C[C@H]1[C@@H](C#N)CCN1C1CCCC1 259346478 573143206 /nfs/dbraw/zinc/14/32/06/573143206.db2.gz STRZZIGCJCOVCJ-VHSXEESVSA-N 0 3 178.279 2.163 10 30 AEEEHN C[C@@H]1[C@H](C#N)CCN1C1CCCC1 259346481 573143651 /nfs/dbraw/zinc/14/36/51/573143651.db2.gz STRZZIGCJCOVCJ-ZJUUUORDSA-N 0 3 178.279 2.163 10 30 AEEEHN Cc1cc(F)cc(C)c1C#C[C@H](C)N 235489401 573143679 /nfs/dbraw/zinc/14/36/79/573143679.db2.gz KEPOPIIXXOAMLZ-JTQLQIEISA-N 0 3 191.249 2.141 10 30 AEEEHN C[C@H]1CCN([C@@H]2CCCC[C@@H]2C#N)C1 40718223 573143790 /nfs/dbraw/zinc/14/37/90/573143790.db2.gz IULSBFXMACQCTR-QJPTWQEYSA-N 0 3 192.306 2.411 10 30 AEEEHN C=CCSc1cc(C)nc(CN)c1 308276824 573144174 /nfs/dbraw/zinc/14/41/74/573144174.db2.gz OWSMUULYYARALD-UHFFFAOYSA-N 0 3 194.303 2.127 10 30 AEEEHN CC(C)[C@@H]1CC[C@@H]1NCC1(C#N)CC1 308503308 573144570 /nfs/dbraw/zinc/14/45/70/573144570.db2.gz HPDZTMMGOCGENK-QWRGUYRKSA-N 0 3 192.306 2.314 10 30 AEEEHN N#C[C@@]1(CCCCCF)CCCNC1 308507712 573144694 /nfs/dbraw/zinc/14/46/94/573144694.db2.gz ZZBYYNJFZMNDRR-LLVKDONJSA-N 0 3 198.285 2.410 10 30 AEEEHN CC(C)[C@H]1CC[C@H]1NCC1(C#N)CC1 308503306 573145070 /nfs/dbraw/zinc/14/50/70/573145070.db2.gz HPDZTMMGOCGENK-GHMZBOCLSA-N 0 3 192.306 2.314 10 30 AEEEHN C=C[C@@H](C)N1CCC[C@H](OCC)C1 308250292 573145623 /nfs/dbraw/zinc/14/56/23/573145623.db2.gz AYTFLDFZLNQYGV-MNOVXSKESA-N 0 3 183.295 2.062 10 30 AEEEHN N#C[C@H]1CCC[C@@H]1NCCCC1CC1 162477211 573145680 /nfs/dbraw/zinc/14/56/80/573145680.db2.gz YAHKADXVLYWIHO-NEPJUHHUSA-N 0 3 192.306 2.458 10 30 AEEEHN CCc1ccc([C@@H](C)N)c(C#N)c1 238290595 573147428 /nfs/dbraw/zinc/14/74/28/573147428.db2.gz PFTXRSMNVXKPJG-MRVPVSSYSA-N 0 3 174.247 2.140 10 30 AEEEHN C[C@H]1[C@H](C#N)CCN1C1CCCC1 259346477 573149277 /nfs/dbraw/zinc/14/92/77/573149277.db2.gz STRZZIGCJCOVCJ-UWVGGRQHSA-N 0 3 178.279 2.163 10 30 AEEEHN C=C[C@H](N)c1cc(C)oc1C 104669096 573149327 /nfs/dbraw/zinc/14/93/27/573149327.db2.gz USIYGJOYFUSPET-VIFPVBQESA-N 0 3 151.209 2.082 10 30 AEEEHN N#CCC[C@@H](N)c1ccccc1F 259348099 573151405 /nfs/dbraw/zinc/15/14/05/573151405.db2.gz JQOIVZCILXKMEB-SNVBAGLBSA-N 0 3 178.210 2.129 10 30 AEEEHN C#CCN(C)CC1(CSC)CCC1 308287973 573151855 /nfs/dbraw/zinc/15/18/55/573151855.db2.gz BRZVIMSLKQQCNX-UHFFFAOYSA-N 0 3 197.347 2.085 10 30 AEEEHN N#CCC[C@H](N)c1ccccc1F 259348095 573155851 /nfs/dbraw/zinc/15/58/51/573155851.db2.gz JQOIVZCILXKMEB-JTQLQIEISA-N 0 3 178.210 2.129 10 30 AEEEHN C#CCN(CC/C=C\CC)C1CC1 308284753 573160322 /nfs/dbraw/zinc/16/03/22/573160322.db2.gz BEBGZNRKVAGVOU-WAYWQWQTSA-N 0 3 177.291 2.440 10 30 AEEEHN CC(C)=CCCN[C@@H](C)[C@H](C)C#N 308284667 573160851 /nfs/dbraw/zinc/16/08/51/573160851.db2.gz YMACSCHCUBKWQQ-MNOVXSKESA-N 0 3 180.295 2.480 10 30 AEEEHN N[C@@H](CS)c1ccc(Cl)s1 257958964 573161740 /nfs/dbraw/zinc/16/17/40/573161740.db2.gz BBNGERDMBSRXPM-BYPYZUCNSA-N 0 3 193.724 2.331 10 30 AEEEHN CC(C)CCN1CC[C@@H](C#N)[C@H]1C 259348652 573162602 /nfs/dbraw/zinc/16/26/02/573162602.db2.gz SYFZVRQZENPTSC-MNOVXSKESA-N 0 3 180.295 2.266 10 30 AEEEHN CC(C)=CCCN[C@H](C)[C@@H](C)C#N 308284669 573162663 /nfs/dbraw/zinc/16/26/63/573162663.db2.gz YMACSCHCUBKWQQ-WDEREUQCSA-N 0 3 180.295 2.480 10 30 AEEEHN C#CCN(CC/C=C/CC)C1CC1 308284751 573162716 /nfs/dbraw/zinc/16/27/16/573162716.db2.gz BEBGZNRKVAGVOU-AATRIKPKSA-N 0 3 177.291 2.440 10 30 AEEEHN CC(C)CCN1CC[C@H](C#N)[C@@H]1C 259348657 573163005 /nfs/dbraw/zinc/16/30/05/573163005.db2.gz SYFZVRQZENPTSC-WDEREUQCSA-N 0 3 180.295 2.266 10 30 AEEEHN CC(C)CCN1CC[C@@H](C#N)[C@@H]1C 259348654 573164498 /nfs/dbraw/zinc/16/44/98/573164498.db2.gz SYFZVRQZENPTSC-QWRGUYRKSA-N 0 3 180.295 2.266 10 30 AEEEHN N#Cc1cc(Cl)ccc1C1(N)CC1 214704565 573165080 /nfs/dbraw/zinc/16/50/80/573165080.db2.gz JRIARUYSZWBWTR-UHFFFAOYSA-N 0 3 192.649 2.159 10 30 AEEEHN CN1CCc2ccccc2[C@@H]1CS 259353707 573173526 /nfs/dbraw/zinc/17/35/26/573173526.db2.gz FPNQOFNGWPSZAG-NSHDSACASA-N 0 3 193.315 2.145 10 30 AEEEHN CCC[C@H](N)c1ccc(C#N)cc1F 104677983 573173389 /nfs/dbraw/zinc/17/33/89/573173389.db2.gz HZJDTWMAKLEARH-NSHDSACASA-N 0 3 192.237 2.497 10 30 AEEEHN CN1CCc2ccccc2[C@H]1CS 259353697 573176995 /nfs/dbraw/zinc/17/69/95/573176995.db2.gz FPNQOFNGWPSZAG-LLVKDONJSA-N 0 3 193.315 2.145 10 30 AEEEHN CC(C)[C@@H](C)CNCC(C)(C)C#N 308295974 573181159 /nfs/dbraw/zinc/18/11/59/573181159.db2.gz VJTPHCHIZPGTCF-JTQLQIEISA-N 0 3 182.311 2.418 10 30 AEEEHN CC(C)C[N@@H+]1CCC[C@H]([S-])C1 73652478 573188638 /nfs/dbraw/zinc/18/86/38/573188638.db2.gz NJFWTJVPDZWKGC-VIFPVBQESA-N 0 3 173.325 2.037 10 30 AEEEHN CC(C)C[N@H+]1CCC[C@H]([S-])C1 73652478 573188645 /nfs/dbraw/zinc/18/86/45/573188645.db2.gz NJFWTJVPDZWKGC-VIFPVBQESA-N 0 3 173.325 2.037 10 30 AEEEHN C=C1CCN([C@@H](C)COCC)CC1 308298293 573190129 /nfs/dbraw/zinc/19/01/29/573190129.db2.gz JBHCMUCRYXVOFN-NSHDSACASA-N 0 3 183.295 2.063 10 30 AEEEHN C=C1CCN([C@H](C)COCC)CC1 308298292 573190155 /nfs/dbraw/zinc/19/01/55/573190155.db2.gz JBHCMUCRYXVOFN-LLVKDONJSA-N 0 3 183.295 2.063 10 30 AEEEHN N#CCC[C@@H](N)c1cccc(F)c1 259362600 573190541 /nfs/dbraw/zinc/19/05/41/573190541.db2.gz KGXOOMFFHWTNTH-SNVBAGLBSA-N 0 3 178.210 2.129 10 30 AEEEHN N#CCC[C@H](N)c1cccc(F)c1 259362597 573191004 /nfs/dbraw/zinc/19/10/04/573191004.db2.gz KGXOOMFFHWTNTH-JTQLQIEISA-N 0 3 178.210 2.129 10 30 AEEEHN CC#CCCCCN[C@H](CC)CC#N 308516737 573191804 /nfs/dbraw/zinc/19/18/04/573191804.db2.gz NAPZUDRSCNEEOI-GFCCVEGCSA-N 0 3 192.306 2.462 10 30 AEEEHN CC(C#N)[S@](=O)[C@H]1CCC[C@@H](C)C1 82787884 573193948 /nfs/dbraw/zinc/19/39/48/573193948.db2.gz PDNFTGTVOKIQKQ-KEPMVKOISA-N 0 3 199.319 2.226 10 30 AEEEHN CC#CCCNC/C=C/c1ccco1 308516059 573193414 /nfs/dbraw/zinc/19/34/14/573193414.db2.gz MVQKHQQCESXYGK-FNORWQNLSA-N 0 3 189.258 2.296 10 30 AEEEHN C[C@H]1[C@H](C#N)CCN1C(C)(C)C 259361224 573193501 /nfs/dbraw/zinc/19/35/01/573193501.db2.gz UJKUTJXRHOCWBN-IUCAKERBSA-N 0 3 166.268 2.019 10 30 AEEEHN C[C@@H]1[C@H](C#N)CCN1C(C)(C)C 259361221 573194784 /nfs/dbraw/zinc/19/47/84/573194784.db2.gz UJKUTJXRHOCWBN-BDAKNGLRSA-N 0 3 166.268 2.019 10 30 AEEEHN CC#CCCNC/C=C\c1ccco1 308516058 573194849 /nfs/dbraw/zinc/19/48/49/573194849.db2.gz MVQKHQQCESXYGK-ALCCZGGFSA-N 0 3 189.258 2.296 10 30 AEEEHN N#CC1([C@@H](N)C2CCCC2)CCC1 259365107 573196361 /nfs/dbraw/zinc/19/63/61/573196361.db2.gz KJOYULFXPZIGHQ-JTQLQIEISA-N 0 3 178.279 2.198 10 30 AEEEHN C[C@@H]1[C@@H](C#N)CCN1C(C)(C)C 259361226 573196532 /nfs/dbraw/zinc/19/65/32/573196532.db2.gz UJKUTJXRHOCWBN-RKDXNWHRSA-N 0 3 166.268 2.019 10 30 AEEEHN CC[C@H]1CCN(CC(C)(C)C#N)C1 405170790 573196665 /nfs/dbraw/zinc/19/66/65/573196665.db2.gz NJTGLXRSOPFABX-JTQLQIEISA-N 0 3 180.295 2.268 10 30 AEEEHN N#CC1([C@H](N)C2CCCC2)CCC1 259365111 573196972 /nfs/dbraw/zinc/19/69/72/573196972.db2.gz KJOYULFXPZIGHQ-SNVBAGLBSA-N 0 3 178.279 2.198 10 30 AEEEHN CC[C@@H](C#N)[C@H](NC)C(C)(C)C 259364824 573197233 /nfs/dbraw/zinc/19/72/33/573197233.db2.gz URXXDPILDLCGCN-IUCAKERBSA-N 0 3 168.284 2.170 10 30 AEEEHN CC[C@H](N)c1cc(C#N)cs1 238310385 573198476 /nfs/dbraw/zinc/19/84/76/573198476.db2.gz YAVVSRBNCJUNLC-ZETCQYMHSA-N 0 3 166.249 2.030 10 30 AEEEHN CC[C@@H](C#N)[C@@H](NC)C(C)(C)C 259364822 573198481 /nfs/dbraw/zinc/19/84/81/573198481.db2.gz URXXDPILDLCGCN-DTWKUNHWSA-N 0 3 168.284 2.170 10 30 AEEEHN C=CCN1CC[C@H](CC#N)C(C)(C)C1 259369556 573201662 /nfs/dbraw/zinc/20/16/62/573201662.db2.gz VEIAHWSILYMJMN-NSHDSACASA-N 0 3 192.306 2.434 10 30 AEEEHN C#CC(C)(C)NCc1ccsc1 69678557 573201829 /nfs/dbraw/zinc/20/18/29/573201829.db2.gz WKRYCYLHBPQEPO-UHFFFAOYSA-N 0 3 179.288 2.250 10 30 AEEEHN Cc1ccc(F)c(C#CC(C)(C)N)c1 69678586 573202158 /nfs/dbraw/zinc/20/21/58/573202158.db2.gz XMSVMYDQTADDIO-UHFFFAOYSA-N 0 3 191.249 2.223 10 30 AEEEHN C=CCN1CC[C@@H](CC#N)C(C)(C)C1 259369554 573203932 /nfs/dbraw/zinc/20/39/32/573203932.db2.gz VEIAHWSILYMJMN-LLVKDONJSA-N 0 3 192.306 2.434 10 30 AEEEHN CC(C)N1CCCC[C@@H](C#N)[C@H]1C 259603538 573207224 /nfs/dbraw/zinc/20/72/24/573207224.db2.gz FIVITXLVCCJEQQ-MNOVXSKESA-N 0 3 180.295 2.409 10 30 AEEEHN CCCN1C[C@@H](C#N)CCC1(C)C 259376616 573207601 /nfs/dbraw/zinc/20/76/01/573207601.db2.gz LANVSYKPWZPUIJ-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN CN[C@@H]([C@@H](C#N)C(C)C)C(C)(C)C 259376135 573210256 /nfs/dbraw/zinc/21/02/56/573210256.db2.gz VKXZQBCZQUZUKS-UWVGGRQHSA-N 0 3 182.311 2.416 10 30 AEEEHN CC[C@H](C#N)CN1CCCCCC1 258586177 573211047 /nfs/dbraw/zinc/21/10/47/573211047.db2.gz FTELDKOUXGWJGN-LLVKDONJSA-N 0 3 180.295 2.412 10 30 AEEEHN CCCN1C[C@H](C#N)CCC1(C)C 259376613 573211106 /nfs/dbraw/zinc/21/11/06/573211106.db2.gz LANVSYKPWZPUIJ-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN CN1CCC(C2(C#N)CCC2)CC1 259380117 573214751 /nfs/dbraw/zinc/21/47/51/573214751.db2.gz VRKBGSUZLKCOLR-UHFFFAOYSA-N 0 3 178.279 2.022 10 30 AEEEHN C#CCN(CC1(C)CCC1)C1CC1 308316411 573216236 /nfs/dbraw/zinc/21/62/36/573216236.db2.gz VRVJTRGEDFSIPG-UHFFFAOYSA-N 0 3 177.291 2.274 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@@H](N)[C@@H](C)CC 715704382 573220217 /nfs/dbraw/zinc/22/02/17/573220217.db2.gz JLJQTFXEFPQRNG-GUBZILKMSA-N 0 3 183.295 2.141 10 30 AEEEHN CN1CCC[C@@H](C2(C#N)CCC2)C1 259382398 573221517 /nfs/dbraw/zinc/22/15/17/573221517.db2.gz VWSWBEHRGIQIFJ-SNVBAGLBSA-N 0 3 178.279 2.022 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@H](N)[C@H](C)CC 715704383 573222149 /nfs/dbraw/zinc/22/21/49/573222149.db2.gz JLJQTFXEFPQRNG-KXUCPTDWSA-N 0 3 183.295 2.141 10 30 AEEEHN C[C@@H]1CN([C@@H]2CCC[C@@H]2C#N)C[C@H]1C 86009956 573223573 /nfs/dbraw/zinc/22/35/73/573223573.db2.gz GQYNBMISWBNAEH-DDHJBXDOSA-N 0 3 192.306 2.266 10 30 AEEEHN CC[C@H](CC#N)N1C[C@@H](C)[C@H](C)C1 86009962 573228430 /nfs/dbraw/zinc/22/84/30/573228430.db2.gz OSCITJKPULKQAL-GMTAPVOTSA-N 0 3 180.295 2.266 10 30 AEEEHN C=C(CC)CN(C)Cc1ccc[nH]1 308313898 573232630 /nfs/dbraw/zinc/23/26/30/573232630.db2.gz UANNJTSTUUBJNP-UHFFFAOYSA-N 0 3 178.279 2.413 10 30 AEEEHN CCCCCCCOC1(C)CNC1 214596121 573233746 /nfs/dbraw/zinc/23/37/46/573233746.db2.gz PRSUQLKITXIPFL-UHFFFAOYSA-N 0 3 185.311 2.335 10 30 AEEEHN N#C[C@@H]1CCCCN2CCCC[C@H]12 259388588 573234197 /nfs/dbraw/zinc/23/41/97/573234197.db2.gz AFJVTMUMNAMKQZ-WDEREUQCSA-N 0 3 178.279 2.165 10 30 AEEEHN C=C(C)C(=O)C(C)(C)N1CCCCC1 86023895 573238316 /nfs/dbraw/zinc/23/83/16/573238316.db2.gz XPSABJNXHMYZGK-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN N#CCC[C@H](N)c1ccc(F)c(F)c1 259390042 573238487 /nfs/dbraw/zinc/23/84/87/573238487.db2.gz LIYKGOZZHGSGIK-JTQLQIEISA-N 0 3 196.200 2.268 10 30 AEEEHN C=C(C)[C@@H](N)c1cccs1 86024777 573240423 /nfs/dbraw/zinc/24/04/23/573240423.db2.gz MBXBCBIYVRSUPR-MRVPVSSYSA-N 0 3 153.250 2.324 10 30 AEEEHN C=CC[C@@H](C)[C@@H](N)c1ccsn1 715725687 573241372 /nfs/dbraw/zinc/24/13/72/573241372.db2.gz ZZYWNTNPRPCQFE-VXNVDRBHSA-N 0 3 182.292 2.355 10 30 AEEEHN C=C(C)C(=O)C1(N(C)C)CCCCC1 86024068 573240128 /nfs/dbraw/zinc/24/01/28/573240128.db2.gz AAUMUKDBADVJTE-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN CN[C@]1(C)CC[C@@H](C(C)C)C/C1=N/O 238316140 573241960 /nfs/dbraw/zinc/24/19/60/573241960.db2.gz SMRCKJQNYXIPKU-QJGRZGMFSA-N 0 3 198.310 2.251 10 30 AEEEHN C=CC[C@H](C)[C@H](N)c1ccsn1 715725685 573241349 /nfs/dbraw/zinc/24/13/49/573241349.db2.gz ZZYWNTNPRPCQFE-CBAPKCEASA-N 0 3 182.292 2.355 10 30 AEEEHN C=CC[C@H](C)C(=O)C1(NC)CCCC1 715725119 573241943 /nfs/dbraw/zinc/24/19/43/573241943.db2.gz XSELCBJMFUCUHI-JTQLQIEISA-N 0 3 195.306 2.300 10 30 AEEEHN C=CC[C@@H](C)C(=O)CNCC(C)C 715724939 573242280 /nfs/dbraw/zinc/24/22/80/573242280.db2.gz LPOLMZLSWREMHP-SNVBAGLBSA-N 0 3 183.295 2.013 10 30 AEEEHN CN[C@@]1(C)CC[C@@H](C(C)C)C/C1=N/O 238315223 573243971 /nfs/dbraw/zinc/24/39/71/573243971.db2.gz SMRCKJQNYXIPKU-GIWCNJTOSA-N 0 3 198.310 2.251 10 30 AEEEHN C=CC[C@@H](C)C(=O)[C@H]1CCCCCN1 715723587 573243853 /nfs/dbraw/zinc/24/38/53/573243853.db2.gz SPSXDKGSKUIEBC-GHMZBOCLSA-N 0 3 195.306 2.300 10 30 AEEEHN CN[C@]1(C)CC[C@H](C(C)C)C/C1=N/O 238316172 573245416 /nfs/dbraw/zinc/24/54/16/573245416.db2.gz SMRCKJQNYXIPKU-LWPCEBTKSA-N 0 3 198.310 2.251 10 30 AEEEHN CN[C@@]1(C)CC[C@H](C(C)C)C/C1=N/O 238315262 573245183 /nfs/dbraw/zinc/24/51/83/573245183.db2.gz SMRCKJQNYXIPKU-CZHLJQHUSA-N 0 3 198.310 2.251 10 30 AEEEHN C=CC[C@H](C)[C@@H](N)c1ccsn1 715725686 573245272 /nfs/dbraw/zinc/24/52/72/573245272.db2.gz ZZYWNTNPRPCQFE-IONNQARKSA-N 0 3 182.292 2.355 10 30 AEEEHN CC[C@H](N)c1cccc(C#N)c1F 238317544 573248528 /nfs/dbraw/zinc/24/85/28/573248528.db2.gz OLQKPZCMSPOSBR-VIFPVBQESA-N 0 3 178.210 2.107 10 30 AEEEHN CCCCCNCC(C)(C)C#N 129179248 573248627 /nfs/dbraw/zinc/24/86/27/573248627.db2.gz VKCBFRIIUWAIAC-UHFFFAOYSA-N 0 3 168.284 2.316 10 30 AEEEHN [NH3+]C[C@@H]([S-])c1ccc2c(c1)CCC2 259052441 573253670 /nfs/dbraw/zinc/25/36/70/573253670.db2.gz ATKGIWFZKHUZQU-LLVKDONJSA-N 0 3 193.315 2.105 10 30 AEEEHN CC[C@H](N)c1cccc(C)c1C#N 238317709 573252371 /nfs/dbraw/zinc/25/23/71/573252371.db2.gz JWDNGQKOXHFANB-NSHDSACASA-N 0 3 174.247 2.277 10 30 AEEEHN CC(C)CCNCC(C)(C)C#N 129201520 573252443 /nfs/dbraw/zinc/25/24/43/573252443.db2.gz CXNGPKBVXAMHHP-UHFFFAOYSA-N 0 3 168.284 2.172 10 30 AEEEHN C[C@@H](NCC(C)(C)C#N)C1(C)CC1 129194811 573256533 /nfs/dbraw/zinc/25/65/33/573256533.db2.gz WBPNMAXCQZEBFV-SECBINFHSA-N 0 3 180.295 2.314 10 30 AEEEHN C=CCCCCN[C@@H](C)[C@H](C)C#N 308329367 573257644 /nfs/dbraw/zinc/25/76/44/573257644.db2.gz JLLLWUNFBTWRAP-MNOVXSKESA-N 0 3 180.295 2.480 10 30 AEEEHN C=CCCCCN[C@H](C)[C@H](C)C#N 308329365 573257506 /nfs/dbraw/zinc/25/75/06/573257506.db2.gz JLLLWUNFBTWRAP-GHMZBOCLSA-N 0 3 180.295 2.480 10 30 AEEEHN C[C@@H](C#N)[C@@H](C)NC(C)(C)C1CC1 308332636 573260089 /nfs/dbraw/zinc/26/00/89/573260089.db2.gz LSIIWZXISZYAGK-DTWKUNHWSA-N 0 3 180.295 2.313 10 30 AEEEHN C[C@H](C#N)[C@H](C)NC(C)(C)C1CC1 308332635 573260373 /nfs/dbraw/zinc/26/03/73/573260373.db2.gz LSIIWZXISZYAGK-BDAKNGLRSA-N 0 3 180.295 2.313 10 30 AEEEHN C[C@H](C#N)[C@@H](C)NC(C)(C)C1CC1 308332864 573263247 /nfs/dbraw/zinc/26/32/47/573263247.db2.gz LSIIWZXISZYAGK-RKDXNWHRSA-N 0 3 180.295 2.313 10 30 AEEEHN C=CC[C@H](C)[C@H](N)c1cscn1 715746047 573266195 /nfs/dbraw/zinc/26/61/95/573266195.db2.gz CSZYPKQEIKCYHW-CBAPKCEASA-N 0 3 182.292 2.355 10 30 AEEEHN C=CC[C@@H](C)[C@H](N)c1cscn1 715746044 573266837 /nfs/dbraw/zinc/26/68/37/573266837.db2.gz CSZYPKQEIKCYHW-APPZFPTMSA-N 0 3 182.292 2.355 10 30 AEEEHN C=CC[C@H](C)[C@@H](N)c1cscn1 715746053 573267175 /nfs/dbraw/zinc/26/71/75/573267175.db2.gz CSZYPKQEIKCYHW-IONNQARKSA-N 0 3 182.292 2.355 10 30 AEEEHN C=CC[C@@H](C)[C@@H](N)c1cscn1 715746055 573268061 /nfs/dbraw/zinc/26/80/61/573268061.db2.gz CSZYPKQEIKCYHW-VXNVDRBHSA-N 0 3 182.292 2.355 10 30 AEEEHN C=C[C@@H](C)CN(C)c1ccncc1 308338845 573269883 /nfs/dbraw/zinc/26/98/83/573269883.db2.gz PSIHSXLDAAQFOX-SNVBAGLBSA-N 0 3 176.263 2.340 10 30 AEEEHN C=CC[C@H](N)C(=O)CC1(C)CCC1 308338814 573272621 /nfs/dbraw/zinc/27/26/21/573272621.db2.gz PRWWFEBQTPYICA-VIFPVBQESA-N 0 3 181.279 2.039 10 30 AEEEHN CN[C@H](C)c1cc(F)c(C#N)c(F)c1 238331009 573275702 /nfs/dbraw/zinc/27/57/02/573275702.db2.gz LAFMNGUVBVXBNL-ZCFIWIBFSA-N 0 3 196.200 2.117 10 30 AEEEHN CCN(CC)Cc1cc(C)c(C#N)[nH]1 259403568 573284946 /nfs/dbraw/zinc/28/49/46/573284946.db2.gz JWCJSVIWNOANRM-UHFFFAOYSA-N 0 3 191.278 2.037 10 30 AEEEHN CN(C)[C@H](CS)c1cccc(F)c1 259402490 573286720 /nfs/dbraw/zinc/28/67/20/573286720.db2.gz HIXJWMCOUNGTKY-SNVBAGLBSA-N 0 3 199.294 2.358 10 30 AEEEHN CN(C)[C@@H](CS)c1cccc(F)c1 259402486 573287335 /nfs/dbraw/zinc/28/73/35/573287335.db2.gz HIXJWMCOUNGTKY-JTQLQIEISA-N 0 3 199.294 2.358 10 30 AEEEHN CC(C)[C@H](C#N)CNCC(C)(C)C 259067433 573288958 /nfs/dbraw/zinc/28/89/58/573288958.db2.gz UBDNAEHCVDGZTG-SNVBAGLBSA-N 0 3 182.311 2.418 10 30 AEEEHN C/C=C/CCNCc1ccc(C#N)o1 135486123 573292882 /nfs/dbraw/zinc/29/28/82/573292882.db2.gz RHPPVOAUJZKSGE-NSCUHMNNSA-N 0 3 190.246 2.207 10 30 AEEEHN CN[C@@H](C)c1cc(F)c(C#N)c(F)c1 238325488 573292943 /nfs/dbraw/zinc/29/29/43/573292943.db2.gz LAFMNGUVBVXBNL-LURJTMIESA-N 0 3 196.200 2.117 10 30 AEEEHN C=CC[C@@H](C)C(=O)[C@H](N)CC=C(C)C 715758422 573295331 /nfs/dbraw/zinc/29/53/31/573295331.db2.gz NBVHYVUBEKAURI-GHMZBOCLSA-N 0 3 195.306 2.451 10 30 AEEEHN CCCN1CC[C@@H](C#N)C1(C)C 259407765 573295365 /nfs/dbraw/zinc/29/53/65/573295365.db2.gz MSHGQWNGKNYICQ-VIFPVBQESA-N 0 3 166.268 2.020 10 30 AEEEHN C=CCN(c1cccc(N)n1)C(C)C 132410590 573300376 /nfs/dbraw/zinc/30/03/76/573300376.db2.gz FAKAPGJNYYDRNS-UHFFFAOYSA-N 0 3 191.278 2.065 10 30 AEEEHN CC(C)N1CCC=C(CCC=O)C1 258286243 573300541 /nfs/dbraw/zinc/30/05/41/573300541.db2.gz ZVBBUZICJCWFPE-UHFFFAOYSA-N 0 3 181.279 2.006 10 30 AEEEHN CC(C)CN1CCCC[C@H]1CC#N 259408894 573305474 /nfs/dbraw/zinc/30/54/74/573305474.db2.gz YKYQROJHITZTTM-NSHDSACASA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)(C)[C@@H](N)C1(C#N)CCC1 259606296 573307100 /nfs/dbraw/zinc/30/71/00/573307100.db2.gz XGJZDGVAJZEWIF-MRVPVSSYSA-N 0 3 166.268 2.054 10 30 AEEEHN CC[C@@H]1[C@H](C#N)CCCN1C(C)C 259607243 573309630 /nfs/dbraw/zinc/30/96/30/573309630.db2.gz FPWGEKZNWGHORX-WDEREUQCSA-N 0 3 180.295 2.409 10 30 AEEEHN C=CC[C@@H](C#Cc1ccccc1)NC 238346481 573310460 /nfs/dbraw/zinc/31/04/60/573310460.db2.gz UMQGXPIFTXUIID-ZDUSSCGKSA-N 0 3 185.270 2.202 10 30 AEEEHN CN[C@@H](C1CCC1)[C@H](C#N)C(C)C 259081845 573310484 /nfs/dbraw/zinc/31/04/84/573310484.db2.gz CQDJTNCPEUSWRS-MNOVXSKESA-N 0 3 180.295 2.170 10 30 AEEEHN CN[C@]1(C)CC[C@@H](C(C)C)CC1=NO 308344135 573316152 /nfs/dbraw/zinc/31/61/52/573316152.db2.gz SMRCKJQNYXIPKU-MWLCHTKSSA-N 0 3 198.310 2.251 10 30 AEEEHN CN[C@@]1(C)CC[C@H](C(C)C)CC1=NO 308344138 573317223 /nfs/dbraw/zinc/31/72/23/573317223.db2.gz SMRCKJQNYXIPKU-ONGXEEELSA-N 0 3 198.310 2.251 10 30 AEEEHN C=CCNCc1ccc(NC)cc1 258630300 573327133 /nfs/dbraw/zinc/32/71/33/573327133.db2.gz DBFKLMTUJSTQNS-UHFFFAOYSA-N 0 3 176.263 2.004 10 30 AEEEHN CC[C@@H](CC#N)N[C@@H]1[C@H]2CCCC[C@H]21 308549938 573327442 /nfs/dbraw/zinc/32/74/42/573327442.db2.gz XDJYMTQKNCDFLA-NNYUYHANSA-N 0 3 192.306 2.457 10 30 AEEEHN C=CC[C@@H](C)n1cc(CNCC)cn1 715773424 573335216 /nfs/dbraw/zinc/33/52/16/573335216.db2.gz ZGASPWBJZPTKJV-SNVBAGLBSA-N 0 3 193.294 2.130 10 30 AEEEHN C=CCC[C@@H](C)N1CCO[C@H](C)C1 308345879 573336064 /nfs/dbraw/zinc/33/60/64/573336064.db2.gz VEVHQVQHRVLZEF-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCC[C@H](C)N1CCO[C@@H](C)C1 308345881 573336230 /nfs/dbraw/zinc/33/62/30/573336230.db2.gz VEVHQVQHRVLZEF-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN CCC(C)(C)NC[C@@H](C#N)CCC#N 308554559 573339954 /nfs/dbraw/zinc/33/99/54/573339954.db2.gz YVIAYWZYZWARAF-SNVBAGLBSA-N 0 3 193.294 2.208 10 30 AEEEHN C=CC[C@H](C)n1cc(CNCC)cn1 715773423 573340631 /nfs/dbraw/zinc/34/06/31/573340631.db2.gz ZGASPWBJZPTKJV-JTQLQIEISA-N 0 3 193.294 2.130 10 30 AEEEHN CC1(C#N)CCN(C2CCC2)CC1 306611377 573343033 /nfs/dbraw/zinc/34/30/33/573343033.db2.gz GBFUXFJCBVKNEW-UHFFFAOYSA-N 0 3 178.279 2.165 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1CC[C@@H](C2CC2)C1 308558761 573349407 /nfs/dbraw/zinc/34/94/07/573349407.db2.gz CWZVBYJFDZHDGQ-YUSALJHKSA-N 0 3 192.306 2.314 10 30 AEEEHN CN[C@H](C(C)C)[C@@H](C#N)C(C)C 259423250 573348697 /nfs/dbraw/zinc/34/86/97/573348697.db2.gz YOCGALOHMSQTDI-VHSXEESVSA-N 0 3 168.284 2.026 10 30 AEEEHN CN[C@@H](C(C)C)[C@H](C#N)C(C)C 259423252 573349313 /nfs/dbraw/zinc/34/93/13/573349313.db2.gz YOCGALOHMSQTDI-ZJUUUORDSA-N 0 3 168.284 2.026 10 30 AEEEHN CN[C@H](C(C)C)[C@H](C#N)C(C)C 259423247 573349896 /nfs/dbraw/zinc/34/98/96/573349896.db2.gz YOCGALOHMSQTDI-NXEZZACHSA-N 0 3 168.284 2.026 10 30 AEEEHN CC[C@H](CC#N)NC[C@@H](C)C1CC1 132827349 573350406 /nfs/dbraw/zinc/35/04/06/573350406.db2.gz HVYRVBVWTBRXKV-MWLCHTKSSA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@H](CC#N)NC[C@H](C)C1CC1 132827758 573350881 /nfs/dbraw/zinc/35/08/81/573350881.db2.gz HVYRVBVWTBRXKV-GXSJLCMTSA-N 0 3 180.295 2.314 10 30 AEEEHN C(#Cc1ccccc1)CNC1CC=CC1 132899899 573351153 /nfs/dbraw/zinc/35/11/53/573351153.db2.gz WRYRXVYCMOXKQT-UHFFFAOYSA-N 0 3 197.281 2.346 10 30 AEEEHN C=C[C@H](N)c1cccc(C)c1OC 238365816 573351226 /nfs/dbraw/zinc/35/12/26/573351226.db2.gz TUVJUXVMGNICHB-JTQLQIEISA-N 0 3 177.247 2.189 10 30 AEEEHN C[C@H](C#N)CN[C@H]1CC[C@@H](C2CC2)C1 308558759 573351418 /nfs/dbraw/zinc/35/14/18/573351418.db2.gz CWZVBYJFDZHDGQ-JLLWLGSASA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1CC[C@H](C2CC2)C1 308558758 573351431 /nfs/dbraw/zinc/35/14/31/573351431.db2.gz CWZVBYJFDZHDGQ-ADEWGFFLSA-N 0 3 192.306 2.314 10 30 AEEEHN CN[C@@H](C(C)C)[C@@H](C#N)C(C)C 259423249 573353168 /nfs/dbraw/zinc/35/31/68/573353168.db2.gz YOCGALOHMSQTDI-UWVGGRQHSA-N 0 3 168.284 2.026 10 30 AEEEHN CCCC(C)(C)NC[C@@H](C)C#N 126103107 573352861 /nfs/dbraw/zinc/35/28/61/573352861.db2.gz XYQKSHHGCIDGCQ-VIFPVBQESA-N 0 3 168.284 2.314 10 30 AEEEHN C=C[C@@H](C)N1CCC(OCC)CC1 308356571 573354364 /nfs/dbraw/zinc/35/43/64/573354364.db2.gz KXEFUFTZSRGFAP-SNVBAGLBSA-N 0 3 183.295 2.062 10 30 AEEEHN CC[C@H](C)CNCc1ccc(C#N)o1 135560009 573354687 /nfs/dbraw/zinc/35/46/87/573354687.db2.gz MRFUPQHCGSVPFU-VIFPVBQESA-N 0 3 192.262 2.287 10 30 AEEEHN Cc1ccc([C@H]([S-])C[NH3+])cc1C 259425231 573354721 /nfs/dbraw/zinc/35/47/21/573354721.db2.gz ZCJOAYFAYPNPCX-SNVBAGLBSA-N 0 3 181.304 2.233 10 30 AEEEHN C#CC[C@@H](NCC)c1ccncc1C 132955358 573354863 /nfs/dbraw/zinc/35/48/63/573354863.db2.gz PKNGCDZBEUQPEU-GFCCVEGCSA-N 0 3 188.274 2.064 10 30 AEEEHN C=C[C@H](C)NC/C=C\c1ccncc1 308561371 573354875 /nfs/dbraw/zinc/35/48/75/573354875.db2.gz FMGWZDOQFPFMOS-WYGGZMRJSA-N 0 3 188.274 2.259 10 30 AEEEHN CC[C@@H](C)CNCc1ccc(C#N)o1 135559989 573355179 /nfs/dbraw/zinc/35/51/79/573355179.db2.gz MRFUPQHCGSVPFU-SECBINFHSA-N 0 3 192.262 2.287 10 30 AEEEHN C#CC[C@H](NCC)c1ccncc1C 132955150 573355258 /nfs/dbraw/zinc/35/52/58/573355258.db2.gz PKNGCDZBEUQPEU-LBPRGKRZSA-N 0 3 188.274 2.064 10 30 AEEEHN C=C[C@H](C)N1CCC(OCC)CC1 308356567 573355959 /nfs/dbraw/zinc/35/59/59/573355959.db2.gz KXEFUFTZSRGFAP-JTQLQIEISA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCC/C=C(\C)C[C@H]1COCCN1 308364029 573358121 /nfs/dbraw/zinc/35/81/21/573358121.db2.gz KHYLWTDMWJJBFC-BCMYLCSRSA-N 0 3 195.306 2.277 10 30 AEEEHN C=C[C@H](C)NC/C=C/c1ccncc1 308561372 573358614 /nfs/dbraw/zinc/35/86/14/573358614.db2.gz FMGWZDOQFPFMOS-ZWNMCFTASA-N 0 3 188.274 2.259 10 30 AEEEHN C=C[C@H](NCC)c1ccncc1CC 133006773 573362545 /nfs/dbraw/zinc/36/25/45/573362545.db2.gz UMTANYQPPJUJPT-LBPRGKRZSA-N 0 3 190.290 2.481 10 30 AEEEHN CC(C)=CC(=O)C(C)(C)N1CCCC1 117873727 573375252 /nfs/dbraw/zinc/37/52/52/573375252.db2.gz YJSKACUNXMPNIY-UHFFFAOYSA-N 0 3 195.306 2.396 10 30 AEEEHN CC(C)N1CCC[C@H]1/C=C\CC=O 258323694 573372545 /nfs/dbraw/zinc/37/25/45/573372545.db2.gz WHFUCNADJWHOAD-ZTYXWKCZSA-N 0 3 181.279 2.004 10 30 AEEEHN CCC[C@H](NC)[C@H](C#N)C(C)C 259093667 573377844 /nfs/dbraw/zinc/37/78/44/573377844.db2.gz DOFDIEGIKAAGTO-ZJUUUORDSA-N 0 3 168.284 2.170 10 30 AEEEHN CCC[C@H](NC)[C@@H](C#N)C(C)C 259093663 573377219 /nfs/dbraw/zinc/37/72/19/573377219.db2.gz DOFDIEGIKAAGTO-UWVGGRQHSA-N 0 3 168.284 2.170 10 30 AEEEHN CCC[C@@H](NC)[C@@H](C#N)C(C)C 259093664 573378057 /nfs/dbraw/zinc/37/80/57/573378057.db2.gz DOFDIEGIKAAGTO-VHSXEESVSA-N 0 3 168.284 2.170 10 30 AEEEHN CCC[C@@H](NC)[C@H](C#N)C(C)C 259093660 573378294 /nfs/dbraw/zinc/37/82/94/573378294.db2.gz DOFDIEGIKAAGTO-NXEZZACHSA-N 0 3 168.284 2.170 10 30 AEEEHN N#CCCN[C@@H]1CCCC12CCC2 307143217 573380328 /nfs/dbraw/zinc/38/03/28/573380328.db2.gz GKYUOXQGVDMUKE-SNVBAGLBSA-N 0 3 178.279 2.212 10 30 AEEEHN C=C[C@@H](NC)c1ccc(OC)c(C)c1 129949311 573385167 /nfs/dbraw/zinc/38/51/67/573385167.db2.gz FEARGTPEHYJWFC-LLVKDONJSA-N 0 3 191.274 2.450 10 30 AEEEHN C=C[C@H](N)c1cc(C)cc(OC)c1 238375912 573384905 /nfs/dbraw/zinc/38/49/05/573384905.db2.gz FVAUOPPPVORBLP-NSHDSACASA-N 0 3 177.247 2.189 10 30 AEEEHN C=C[C@@H](N)c1cc(C)cc(OC)c1 238376263 573386815 /nfs/dbraw/zinc/38/68/15/573386815.db2.gz FVAUOPPPVORBLP-LLVKDONJSA-N 0 3 177.247 2.189 10 30 AEEEHN C=C[C@H](NC)c1ccc(OC)c(C)c1 129949541 573388136 /nfs/dbraw/zinc/38/81/36/573388136.db2.gz FEARGTPEHYJWFC-NSHDSACASA-N 0 3 191.274 2.450 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@](C)(CC)N(C)C 715790537 573391404 /nfs/dbraw/zinc/39/14/04/573391404.db2.gz ZRGMNRGFEJCUKV-JQWIXIFHSA-N 0 3 197.322 2.498 10 30 AEEEHN C=CC[C@@H](C)N[C@H](C)c1cncnc1 308570130 573392143 /nfs/dbraw/zinc/39/21/43/573392143.db2.gz JTCUNPVCJBENPM-NXEZZACHSA-N 0 3 191.278 2.092 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@@](C)(CC)N(C)C 715790534 573391710 /nfs/dbraw/zinc/39/17/10/573391710.db2.gz ZRGMNRGFEJCUKV-CMPLNLGQSA-N 0 3 197.322 2.498 10 30 AEEEHN CN[C@H](CCS)c1ccc(C)o1 259094414 573391809 /nfs/dbraw/zinc/39/18/09/573391809.db2.gz JLEDKKGLMNUZBI-MRVPVSSYSA-N 0 3 185.292 2.168 10 30 AEEEHN CC[C@H](CNCC#CC(C)(C)C)OC 308569936 573391989 /nfs/dbraw/zinc/39/19/89/573391989.db2.gz JOULAUUVGWTZTO-LLVKDONJSA-N 0 3 197.322 2.051 10 30 AEEEHN C=CC[C@H](C)[C@H](N)c1ncccc1F 715792205 573400535 /nfs/dbraw/zinc/40/05/35/573400535.db2.gz AAFBQWIDLIPKBU-WPRPVWTQSA-N 0 3 194.253 2.433 10 30 AEEEHN N#CCCCCNc1ccncc1 308386448 573408649 /nfs/dbraw/zinc/40/86/49/573408649.db2.gz UTWCBVYRWIKVPK-UHFFFAOYSA-N 0 3 175.235 2.187 10 30 AEEEHN N#CCc1ccn2c(C3CC3)ncc2c1 214887007 573422481 /nfs/dbraw/zinc/42/24/81/573422481.db2.gz ILFSSCPPRCIGCD-UHFFFAOYSA-N 0 3 197.241 2.278 10 30 AEEEHN CC[C@H]1C[C@@H](C#N)CN1C(C)C 107222270 573423094 /nfs/dbraw/zinc/42/30/94/573423094.db2.gz YVPOSAMHWZAOIW-UWVGGRQHSA-N 0 3 166.268 2.019 10 30 AEEEHN CC[C@@H]1C[C@@H](C#N)CN1C(C)C 107222267 573426227 /nfs/dbraw/zinc/42/62/27/573426227.db2.gz YVPOSAMHWZAOIW-VHSXEESVSA-N 0 3 166.268 2.019 10 30 AEEEHN CC[C@@H]1C[C@H](C#N)CN1C(C)C 107222259 573425722 /nfs/dbraw/zinc/42/57/22/573425722.db2.gz YVPOSAMHWZAOIW-NXEZZACHSA-N 0 3 166.268 2.019 10 30 AEEEHN C=CCN1CCC(C)(C)[C@H](CC#N)C1 259103021 573438438 /nfs/dbraw/zinc/43/84/38/573438438.db2.gz AOEUWZLKZRKKAV-LLVKDONJSA-N 0 3 192.306 2.434 10 30 AEEEHN C=C(C)[C@H](NCCC)c1cncn1C 126234437 573438594 /nfs/dbraw/zinc/43/85/94/573438594.db2.gz UORVGHGUBXDOSF-NSHDSACASA-N 0 3 193.294 2.037 10 30 AEEEHN N[C@@H](CS)c1ccccc1Cl 258343775 573444370 /nfs/dbraw/zinc/44/43/70/573444370.db2.gz ZJAZUYQRBMYPKQ-QMMMGPOBSA-N 0 3 187.695 2.270 10 30 AEEEHN C=CCNCc1ccccc1COC 50521918 573444509 /nfs/dbraw/zinc/44/45/09/573444509.db2.gz QZHDCXJYUXZESC-UHFFFAOYSA-N 0 3 191.274 2.109 10 30 AEEEHN CCCCCNC[C@H](C#N)CC 258661056 573449813 /nfs/dbraw/zinc/44/98/13/573449813.db2.gz NQRMFJGQFDFVHE-JTQLQIEISA-N 0 3 168.284 2.316 10 30 AEEEHN N#CC1([C@@H](N)C2CCCCC2)CC1 259453069 573450792 /nfs/dbraw/zinc/45/07/92/573450792.db2.gz OHMCUEQMXGIPME-JTQLQIEISA-N 0 3 178.279 2.198 10 30 AEEEHN C=CCNc1nc2ccc(F)cc2[nH]1 236224829 573450986 /nfs/dbraw/zinc/45/09/86/573450986.db2.gz ITOAEWVSMLHJQL-UHFFFAOYSA-N 0 3 191.209 2.300 10 30 AEEEHN N#CC1([C@H](N)C2CCCCC2)CC1 259453070 573452246 /nfs/dbraw/zinc/45/22/46/573452246.db2.gz OHMCUEQMXGIPME-SNVBAGLBSA-N 0 3 178.279 2.198 10 30 AEEEHN CCN1CCCC[C@H]1/C=C\CC=O 258359168 573454363 /nfs/dbraw/zinc/45/43/63/573454363.db2.gz ZBMLCEFTGMQRHW-OHYQPGSNSA-N 0 3 181.279 2.006 10 30 AEEEHN CC(C)[C@@H](N(C)C)C(C)(C)C#N 259464163 573463834 /nfs/dbraw/zinc/46/38/34/573463834.db2.gz JVJFVSMZDGWQCO-SECBINFHSA-N 0 3 168.284 2.122 10 30 AEEEHN C#C[C@@H](N)c1cccc(OCCC)c1 130167522 573459276 /nfs/dbraw/zinc/45/92/76/573459276.db2.gz HEKAPRHMQBUXPF-GFCCVEGCSA-N 0 3 189.258 2.108 10 30 AEEEHN CN[C@@H](CCC#N)c1ccc(F)cc1 259457849 573462564 /nfs/dbraw/zinc/46/25/64/573462564.db2.gz PKLPANNJYIEUMZ-NSHDSACASA-N 0 3 192.237 2.390 10 30 AEEEHN C#CCNCCOCCCCCCC 107269509 573463735 /nfs/dbraw/zinc/46/37/35/573463735.db2.gz FYANKQOMLJCYHZ-UHFFFAOYSA-N 0 3 197.322 2.196 10 30 AEEEHN CC(C)[C@@H](N(C)C)C1(C#N)CCC1 259462271 573465882 /nfs/dbraw/zinc/46/58/82/573465882.db2.gz JUPROPMGKZVVDS-SNVBAGLBSA-N 0 3 180.295 2.266 10 30 AEEEHN N#C[C@@H]1CCN[C@H](c2ccccc2)C1 258499068 573466231 /nfs/dbraw/zinc/46/62/31/573466231.db2.gz FWHOMCZNHZTXNH-PWSUYJOCSA-N 0 3 186.258 2.251 10 30 AEEEHN CC(C)[C@H](N(C)C)C1(C#N)CCC1 259462269 573466752 /nfs/dbraw/zinc/46/67/52/573466752.db2.gz JUPROPMGKZVVDS-JTQLQIEISA-N 0 3 180.295 2.266 10 30 AEEEHN CC[C@H](C1CC1)N(C)C[C@@H](C)C#N 308391218 573470975 /nfs/dbraw/zinc/47/09/75/573470975.db2.gz ZRNRUERDIVCKGX-GXSJLCMTSA-N 0 3 180.295 2.266 10 30 AEEEHN CC[C@H](C1CC1)N(C)C[C@H](C)C#N 308391221 573471433 /nfs/dbraw/zinc/47/14/33/573471433.db2.gz ZRNRUERDIVCKGX-MWLCHTKSSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@@H](CCC#N)NCc1ccccc1 238413893 573476809 /nfs/dbraw/zinc/47/68/09/573476809.db2.gz HJYQQUWYPHKRKU-NSHDSACASA-N 0 3 188.274 2.468 10 30 AEEEHN CCN[C@H](C)c1ccc(C#N)s1 127406975 573476322 /nfs/dbraw/zinc/47/63/22/573476322.db2.gz LBGUZCSUMJOZNZ-SSDOTTSWSA-N 0 3 180.276 2.290 10 30 AEEEHN C[C@@H](N)c1c(Cl)cccc1C#N 238413539 573477006 /nfs/dbraw/zinc/47/70/06/573477006.db2.gz DHWGZNCCQLQOAB-ZCFIWIBFSA-N 0 3 180.638 2.231 10 30 AEEEHN CCN[C@@H](C)c1ccc(C#N)s1 127406731 573478186 /nfs/dbraw/zinc/47/81/86/573478186.db2.gz LBGUZCSUMJOZNZ-ZETCQYMHSA-N 0 3 180.276 2.290 10 30 AEEEHN C=CCO[C@@H](C)CNc1ccncc1 308596083 573478493 /nfs/dbraw/zinc/47/84/93/573478493.db2.gz RVFXEPXVBKYNHB-JTQLQIEISA-N 0 3 192.262 2.085 10 30 AEEEHN C=CC[C@H](N)C(=O)CC1(CC)CCC1 308594750 573478655 /nfs/dbraw/zinc/47/86/55/573478655.db2.gz XVRCJUCERPQPJS-JTQLQIEISA-N 0 3 195.306 2.429 10 30 AEEEHN CC[NH2+]C[C@@H]([S-])c1ccccc1 238248042 573481807 /nfs/dbraw/zinc/48/18/07/573481807.db2.gz VQTDFFGZZMJRKM-SNVBAGLBSA-N 0 3 181.304 2.267 10 30 AEEEHN C=C(C)CCN(C)Cc1ccc[nH]1 308394589 573491720 /nfs/dbraw/zinc/49/17/20/573491720.db2.gz COUJTBSZPMOPDT-UHFFFAOYSA-N 0 3 178.279 2.413 10 30 AEEEHN CC[C@@H](C#N)CNC1CCCC1 258701622 573497663 /nfs/dbraw/zinc/49/76/63/573497663.db2.gz RIGLWVOAGXLTDD-VIFPVBQESA-N 0 3 166.268 2.068 10 30 AEEEHN Cc1cc([C@@H](C)N)c(C#N)cc1F 238418633 573498708 /nfs/dbraw/zinc/49/87/08/573498708.db2.gz FAVGUHGMAJBLOS-SSDOTTSWSA-N 0 3 178.210 2.026 10 30 AEEEHN CC[C@H](C#N)CNC1CCCC1 258701620 573498942 /nfs/dbraw/zinc/49/89/42/573498942.db2.gz RIGLWVOAGXLTDD-SECBINFHSA-N 0 3 166.268 2.068 10 30 AEEEHN CCCCN1CC[C@@H](C#N)[C@H]1C 259110699 573502746 /nfs/dbraw/zinc/50/27/46/573502746.db2.gz BGZGMPRIHNCFRC-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN C=C[C@H](N)c1cc(O)ccc1SC 238418780 573501589 /nfs/dbraw/zinc/50/15/89/573501589.db2.gz VZQMUGRSWKUFOV-VIFPVBQESA-N 0 3 195.287 2.300 10 30 AEEEHN C[C@H](N)c1cc(F)c(C#N)cc1Cl 238418891 573504360 /nfs/dbraw/zinc/50/43/60/573504360.db2.gz RCDNOVRNZNMVMK-YFKPBYRVSA-N 0 3 198.628 2.370 10 30 AEEEHN CCCCN1CC[C@H](C#N)[C@@H]1C 259110695 573504700 /nfs/dbraw/zinc/50/47/00/573504700.db2.gz BGZGMPRIHNCFRC-VHSXEESVSA-N 0 3 166.268 2.020 10 30 AEEEHN C=C[C@@H](N)c1cc(O)ccc1SC 238419311 573503802 /nfs/dbraw/zinc/50/38/02/573503802.db2.gz VZQMUGRSWKUFOV-SECBINFHSA-N 0 3 195.287 2.300 10 30 AEEEHN CCCCN1CC[C@@H](C#N)[C@@H]1C 259110692 573504493 /nfs/dbraw/zinc/50/44/93/573504493.db2.gz BGZGMPRIHNCFRC-UWVGGRQHSA-N 0 3 166.268 2.020 10 30 AEEEHN CC[C@H](C)NC[C@H](C#N)C(C)C 258725932 573512341 /nfs/dbraw/zinc/51/23/41/573512341.db2.gz UTCGEVAZASEDCD-UWVGGRQHSA-N 0 3 168.284 2.170 10 30 AEEEHN CC[C@H](C#N)CNCCC(C)C 258729870 573509800 /nfs/dbraw/zinc/50/98/00/573509800.db2.gz VAWSZHMCCHKLGH-SNVBAGLBSA-N 0 3 168.284 2.172 10 30 AEEEHN CC[C@@H](C#N)CNCCC(C)C 258729868 573510269 /nfs/dbraw/zinc/51/02/69/573510269.db2.gz VAWSZHMCCHKLGH-JTQLQIEISA-N 0 3 168.284 2.172 10 30 AEEEHN C#C[C@H](NCC)c1cc(OC)cs1 130294790 573510308 /nfs/dbraw/zinc/51/03/08/573510308.db2.gz TVKASPUSXVFUQE-VIFPVBQESA-N 0 3 195.287 2.041 10 30 AEEEHN CCCCCNC[C@H](C#N)CCC#N 308609895 573510401 /nfs/dbraw/zinc/51/04/01/573510401.db2.gz QJDBRNXFAFHDRP-NSHDSACASA-N 0 3 193.294 2.210 10 30 AEEEHN CC[C@H](C)N1CC[C@H](C#N)C1(C)C 259482813 573511064 /nfs/dbraw/zinc/51/10/64/573511064.db2.gz ROINEFMUJQSQIY-VHSXEESVSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H](C)NC[C@@H](C#N)C(C)C 258725933 573513150 /nfs/dbraw/zinc/51/31/50/573513150.db2.gz UTCGEVAZASEDCD-VHSXEESVSA-N 0 3 168.284 2.170 10 30 AEEEHN CSc1ccc(NC=N)cc1 238422366 573515452 /nfs/dbraw/zinc/51/54/52/573515452.db2.gz QEEUTYUHKVFZDY-UHFFFAOYSA-N 0 3 166.249 2.027 10 30 AEEEHN CCN1CCCC[C@@H](C#N)[C@H]1C 259484815 573515591 /nfs/dbraw/zinc/51/55/91/573515591.db2.gz APSNRHMUAWYESD-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN CN[C@H](C1CCCC1)C(C)(C)C#N 259483557 573517533 /nfs/dbraw/zinc/51/75/33/573517533.db2.gz QVFPFAWKRKAEHS-SNVBAGLBSA-N 0 3 180.295 2.314 10 30 AEEEHN CCN1CCCC[C@H](C#N)[C@H]1C 259484812 573518592 /nfs/dbraw/zinc/51/85/92/573518592.db2.gz APSNRHMUAWYESD-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN CC(C)CN1C[C@@H](C#N)CC1(C)C 259487221 573522234 /nfs/dbraw/zinc/52/22/34/573522234.db2.gz RVEBPJVZUDQRMI-SNVBAGLBSA-N 0 3 180.295 2.266 10 30 AEEEHN CC(C)CN1C[C@H](C#N)CC1(C)C 259487220 573523156 /nfs/dbraw/zinc/52/31/56/573523156.db2.gz RVEBPJVZUDQRMI-JTQLQIEISA-N 0 3 180.295 2.266 10 30 AEEEHN C(=NCCc1c[nH]cn1)c1ccccc1 308612752 573524366 /nfs/dbraw/zinc/52/43/66/573524366.db2.gz HKSRRMSEBYPOCN-JYRVWZFOSA-N 0 3 199.257 2.071 10 30 AEEEHN CC(C)[C@H](C#N)CNC1CCCC1 258742532 573525595 /nfs/dbraw/zinc/52/55/95/573525595.db2.gz WGINMZKZNNUWKO-SNVBAGLBSA-N 0 3 180.295 2.314 10 30 AEEEHN CN/C=C1/C=CC(=O)C2=CC=CC=C1C2 308614272 573525712 /nfs/dbraw/zinc/52/57/12/573525712.db2.gz RIBYTVXGXUWGTJ-XFXZXTDPSA-N 0 3 199.253 2.041 10 30 AEEEHN CC[C@@H](C)N1C[C@@H](C#N)CC1(C)C 259490383 573527399 /nfs/dbraw/zinc/52/73/99/573527399.db2.gz SBTCATXXBZQJRX-NXEZZACHSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H](C)N1C[C@H](C#N)CC1(C)C 259490384 573528831 /nfs/dbraw/zinc/52/88/31/573528831.db2.gz SBTCATXXBZQJRX-UWVGGRQHSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@@H](C)N1C[C@H](C#N)CC1(C)C 259490386 573529970 /nfs/dbraw/zinc/52/99/70/573529970.db2.gz SBTCATXXBZQJRX-ZJUUUORDSA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C#N)C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 717644627 573530063 /nfs/dbraw/zinc/53/00/63/573530063.db2.gz FGBGDVJWZRLZML-XFWSIPNHSA-N 0 3 177.247 2.151 10 30 AEEEHN CN[C@H](CC(C)C)C(C)(C)C#N 259614191 573533534 /nfs/dbraw/zinc/53/35/34/573533534.db2.gz YNZGIVVKHNJXMF-SECBINFHSA-N 0 3 168.284 2.170 10 30 AEEEHN CN[C@@H](C1CCCCC1)C1(C#N)CC1 259495009 573534840 /nfs/dbraw/zinc/53/48/40/573534840.db2.gz RPMNGBXDHQPKQK-NSHDSACASA-N 0 3 192.306 2.458 10 30 AEEEHN CN[C@H](C1CCCCC1)C1(C#N)CC1 259495007 573539065 /nfs/dbraw/zinc/53/90/65/573539065.db2.gz RPMNGBXDHQPKQK-LLVKDONJSA-N 0 3 192.306 2.458 10 30 AEEEHN C#C[C@@H](NCC)c1ccc2c(c1)CCC2 130312605 573540309 /nfs/dbraw/zinc/54/03/09/573540309.db2.gz JRJUTUDRVDSQON-CQSZACIVSA-N 0 3 199.297 2.459 10 30 AEEEHN OCCCC/C=N\Cc1ccccc1 308626474 573545072 /nfs/dbraw/zinc/54/50/72/573545072.db2.gz MSZNAJOCDKQFDA-LCYFTJDESA-N 0 3 191.274 2.420 10 30 AEEEHN C=C[C@@H](C)NCc1ccc(CC)nc1 308627568 573547776 /nfs/dbraw/zinc/54/77/76/573547776.db2.gz XGTQPINLHIKEAT-SNVBAGLBSA-N 0 3 190.290 2.308 10 30 AEEEHN C=CCN1CC[C@@H](C#N)CC1(C)C 259503285 573548621 /nfs/dbraw/zinc/54/86/21/573548621.db2.gz TXWIJFGFVAWOEG-SNVBAGLBSA-N 0 3 178.279 2.187 10 30 AEEEHN C#CCC[C@@H](N)c1ccoc1Cl 236305747 573548853 /nfs/dbraw/zinc/54/88/53/573548853.db2.gz LJZJHAQRZUXNGZ-MRVPVSSYSA-N 0 3 183.638 2.346 10 30 AEEEHN CN[C@H](CCC#N)c1ccccc1 259506526 573554564 /nfs/dbraw/zinc/55/45/64/573554564.db2.gz SKDMKJNTUDWARV-LLVKDONJSA-N 0 3 174.247 2.251 10 30 AEEEHN C=CCN1CC[C@H](C#N)CC1(C)C 259503282 573550924 /nfs/dbraw/zinc/55/09/24/573550924.db2.gz TXWIJFGFVAWOEG-JTQLQIEISA-N 0 3 178.279 2.187 10 30 AEEEHN Cc1cccc([C@H](N)CCC#N)c1 259506783 573553436 /nfs/dbraw/zinc/55/34/36/573553436.db2.gz RGRIBKKVFFWALN-LLVKDONJSA-N 0 3 174.247 2.299 10 30 AEEEHN N#CCC[C@@H](N)c1ccnc(Cl)c1 259504438 573553451 /nfs/dbraw/zinc/55/34/51/573553451.db2.gz BDKUHZLCKYCQQA-MRVPVSSYSA-N 0 3 195.653 2.039 10 30 AEEEHN CN[C@@H](CCC#N)c1ccccc1 259506527 573553868 /nfs/dbraw/zinc/55/38/68/573553868.db2.gz SKDMKJNTUDWARV-NSHDSACASA-N 0 3 174.247 2.251 10 30 AEEEHN Cc1cccc([C@@H](N)CCC#N)c1 259506786 573554058 /nfs/dbraw/zinc/55/40/58/573554058.db2.gz RGRIBKKVFFWALN-NSHDSACASA-N 0 3 174.247 2.299 10 30 AEEEHN CC1(C)CCN(C2CC2)C[C@H]1CC#N 259121317 573554486 /nfs/dbraw/zinc/55/44/86/573554486.db2.gz CEAURAJRHDJTKF-SNVBAGLBSA-N 0 3 192.306 2.411 10 30 AEEEHN N#CCC[C@H](N)c1ccnc(Cl)c1 259504440 573559038 /nfs/dbraw/zinc/55/90/38/573559038.db2.gz BDKUHZLCKYCQQA-QMMMGPOBSA-N 0 3 195.653 2.039 10 30 AEEEHN N#CCCCN1CC2(CCCC2)C1 86681318 573566330 /nfs/dbraw/zinc/56/63/30/573566330.db2.gz JMGPHRHXOBEIIQ-UHFFFAOYSA-N 0 3 178.279 2.166 10 30 AEEEHN C=C[C@@H](C)N[C@H](CC)c1cncn1C 308626012 573566546 /nfs/dbraw/zinc/56/65/46/573566546.db2.gz WHRQKUXAUWYARY-NXEZZACHSA-N 0 3 193.294 2.035 10 30 AEEEHN C#C[C@H](C)N[C@@H]1CCc2ccccc21 145222049 573566974 /nfs/dbraw/zinc/56/69/74/573566974.db2.gz QSLIGZIGNCORFT-GXFFZTMASA-N 0 3 185.270 2.285 10 30 AEEEHN C=C[C@H](C)N[C@@H](CC)c1cncn1C 308626013 573567948 /nfs/dbraw/zinc/56/79/48/573567948.db2.gz WHRQKUXAUWYARY-UWVGGRQHSA-N 0 3 193.294 2.035 10 30 AEEEHN C=C[C@@H](C)N[C@@H](CC)c1cncn1C 308626015 573569484 /nfs/dbraw/zinc/56/94/84/573569484.db2.gz WHRQKUXAUWYARY-ZJUUUORDSA-N 0 3 193.294 2.035 10 30 AEEEHN C=C[C@H](C)N[C@H](CC)c1cncn1C 308626014 573569061 /nfs/dbraw/zinc/56/90/61/573569061.db2.gz WHRQKUXAUWYARY-VHSXEESVSA-N 0 3 193.294 2.035 10 30 AEEEHN CN[C@@H](CC(C)C)[C@H](C#N)C(C)C 259113266 573570744 /nfs/dbraw/zinc/57/07/44/573570744.db2.gz FXJSJPOXNLMRBP-MNOVXSKESA-N 0 3 182.311 2.416 10 30 AEEEHN CN[C@@H](C(C)(C)C)C1(C#N)CCC1 259515040 573570800 /nfs/dbraw/zinc/57/08/00/573570800.db2.gz SYDKIUDIRGRVCQ-VIFPVBQESA-N 0 3 180.295 2.314 10 30 AEEEHN CN[C@@H](CC(C)C)[C@@H](C#N)C(C)C 259113268 573571655 /nfs/dbraw/zinc/57/16/55/573571655.db2.gz FXJSJPOXNLMRBP-QWRGUYRKSA-N 0 3 182.311 2.416 10 30 AEEEHN CC(C)CCNC[C@H](C#N)C(C)C 258782968 573571855 /nfs/dbraw/zinc/57/18/55/573571855.db2.gz ZYZMMBWZWJIBQA-NSHDSACASA-N 0 3 182.311 2.418 10 30 AEEEHN CC(C)CCNC[C@@H](C#N)C(C)C 258782963 573571916 /nfs/dbraw/zinc/57/19/16/573571916.db2.gz ZYZMMBWZWJIBQA-LLVKDONJSA-N 0 3 182.311 2.418 10 30 AEEEHN CN[C@H](C(C)(C)C)C1(C#N)CCC1 259513733 573572501 /nfs/dbraw/zinc/57/25/01/573572501.db2.gz SYDKIUDIRGRVCQ-SECBINFHSA-N 0 3 180.295 2.314 10 30 AEEEHN CN[C@H](CC(C)C)[C@@H](C#N)C(C)C 259113269 573572805 /nfs/dbraw/zinc/57/28/05/573572805.db2.gz FXJSJPOXNLMRBP-WDEREUQCSA-N 0 3 182.311 2.416 10 30 AEEEHN C#C[C@H](CC)NCCOC(C)(C)CC 308633784 573573915 /nfs/dbraw/zinc/57/39/15/573573915.db2.gz AOSXQFLSXWAXAZ-LLVKDONJSA-N 0 3 197.322 2.193 10 30 AEEEHN C#C[C@@H](CC)NCCOC(C)(C)CC 308633785 573574039 /nfs/dbraw/zinc/57/40/39/573574039.db2.gz AOSXQFLSXWAXAZ-NSHDSACASA-N 0 3 197.322 2.193 10 30 AEEEHN CN[C@H](CC(C)C)[C@H](C#N)C(C)C 259113264 573574430 /nfs/dbraw/zinc/57/44/30/573574430.db2.gz FXJSJPOXNLMRBP-GHMZBOCLSA-N 0 3 182.311 2.416 10 30 AEEEHN N#CC1(CNCCC2CCC2)CC1 258795361 573576333 /nfs/dbraw/zinc/57/63/33/573576333.db2.gz AARRDNGHXYXXKX-UHFFFAOYSA-N 0 3 178.279 2.070 10 30 AEEEHN Fc1ccccc1CNCCCS 258791115 573578369 /nfs/dbraw/zinc/57/83/69/573578369.db2.gz CLPZNPHMRUDPHR-UHFFFAOYSA-N 0 3 199.294 2.235 10 30 AEEEHN C[C@H](C#N)[C@H](C)NC[C@H]1C[C@H]1C1CC1 308637854 573582865 /nfs/dbraw/zinc/58/28/65/573582865.db2.gz CXJMDZYLMMTIBF-DMWPJOQESA-N 0 3 192.306 2.170 10 30 AEEEHN C[C@H](C#N)[C@H](C)NC[C@@H]1C[C@@H]1C1CC1 308637859 573580677 /nfs/dbraw/zinc/58/06/77/573580677.db2.gz CXJMDZYLMMTIBF-LLHIFLOGSA-N 0 3 192.306 2.170 10 30 AEEEHN C[C@H](C#N)[C@H](C)NC[C@H]1C[C@@H]1C1CC1 308637869 573581228 /nfs/dbraw/zinc/58/12/28/573581228.db2.gz CXJMDZYLMMTIBF-RBLKWDMZSA-N 0 3 192.306 2.170 10 30 AEEEHN CN(CC1(C#N)CCC1)C(C)(C)C 258805589 573581493 /nfs/dbraw/zinc/58/14/93/573581493.db2.gz AXVCBCNOACBVTP-UHFFFAOYSA-N 0 3 180.295 2.411 10 30 AEEEHN Cc1cc(CNCCS)ccc1F 258801882 573581660 /nfs/dbraw/zinc/58/16/60/573581660.db2.gz DMVCSWSGYWFWJR-UHFFFAOYSA-N 0 3 199.294 2.154 10 30 AEEEHN C[C@H](C#N)[C@H](C)NC[C@@H]1C[C@H]1C1CC1 308637864 573581734 /nfs/dbraw/zinc/58/17/34/573581734.db2.gz CXJMDZYLMMTIBF-QCZKYFFMSA-N 0 3 192.306 2.170 10 30 AEEEHN CC[C@H](C#N)[C@H](N)C1CCCC1 259516795 573582518 /nfs/dbraw/zinc/58/25/18/573582518.db2.gz RYRKQPIYXWPJDN-SCZZXKLOSA-N 0 3 166.268 2.054 10 30 AEEEHN CC[C@@H](C#N)[C@@H](N)C1CCCC1 259516797 573582492 /nfs/dbraw/zinc/58/24/92/573582492.db2.gz RYRKQPIYXWPJDN-WCBMZHEXSA-N 0 3 166.268 2.054 10 30 AEEEHN CSc1ccc([C@@H]([S-])C[NH3+])cc1 259116756 573582813 /nfs/dbraw/zinc/58/28/13/573582813.db2.gz GKBWTZAJKUWMIN-VIFPVBQESA-N 0 3 199.344 2.338 10 30 AEEEHN CC[C@H](C#N)[C@@H](N)C1CCCC1 259516793 573584515 /nfs/dbraw/zinc/58/45/15/573584515.db2.gz RYRKQPIYXWPJDN-PSASIEDQSA-N 0 3 166.268 2.054 10 30 AEEEHN N#C[C@@H]1CCN[C@@H](c2cccs2)C1 259518988 573591647 /nfs/dbraw/zinc/59/16/47/573591647.db2.gz ARBYXYMCOCCXAI-RKDXNWHRSA-N 0 3 192.287 2.312 10 30 AEEEHN CC[C@H](C#N)CNCCC1CCC1 259137712 573597699 /nfs/dbraw/zinc/59/76/99/573597699.db2.gz ZMAXMBSORFCREW-SNVBAGLBSA-N 0 3 180.295 2.316 10 30 AEEEHN C=C[C@@H](NC)c1ccc(OC)c(F)c1 130488388 573600014 /nfs/dbraw/zinc/60/00/14/573600014.db2.gz QMQCBQVXQHHSNS-SNVBAGLBSA-N 0 3 195.237 2.281 10 30 AEEEHN C=C[C@@H](NC)c1cc(C)ccc1OC 130562749 573600090 /nfs/dbraw/zinc/60/00/90/573600090.db2.gz YQZVGJPGHMZSTP-LLVKDONJSA-N 0 3 191.274 2.450 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@H]2CCC[C@@H]21 83700993 573600405 /nfs/dbraw/zinc/60/04/05/573600405.db2.gz RJAKPTWHRNGSEF-UTUOFQBUSA-N 0 3 192.306 2.411 10 30 AEEEHN C=CCCN[C@@H](C)c1ccnc(C)n1 308649106 573602724 /nfs/dbraw/zinc/60/27/24/573602724.db2.gz JHRMFBCLFYUYQO-VIFPVBQESA-N 0 3 191.278 2.012 10 30 AEEEHN C=C(C)CN[C@@H](C)c1ccnc(F)c1 308647632 573604918 /nfs/dbraw/zinc/60/49/18/573604918.db2.gz INDVUZXCKURBIZ-VIFPVBQESA-N 0 3 194.253 2.447 10 30 AEEEHN C=C(C)CN[C@H](C)c1ccnc(F)c1 308647631 573604988 /nfs/dbraw/zinc/60/49/88/573604988.db2.gz INDVUZXCKURBIZ-SECBINFHSA-N 0 3 194.253 2.447 10 30 AEEEHN C=C[C@H](NC)c1ccc(C)c(OC)c1 130590293 573607761 /nfs/dbraw/zinc/60/77/61/573607761.db2.gz HLSZMWONGAGDJM-NSHDSACASA-N 0 3 191.274 2.450 10 30 AEEEHN C=C[C@@H](NC)c1ccc(C)c(OC)c1 130590098 573608683 /nfs/dbraw/zinc/60/86/83/573608683.db2.gz HLSZMWONGAGDJM-LLVKDONJSA-N 0 3 191.274 2.450 10 30 AEEEHN O=C(C1=CCCCC1)[C@H]1CCCCN1 236409755 573614706 /nfs/dbraw/zinc/61/47/06/573614706.db2.gz OQBOMXTVUDAOAA-LLVKDONJSA-N 0 3 193.290 2.198 10 30 AEEEHN C[C@@H]1CCCCCC(C#N)C1=O 238449448 573614777 /nfs/dbraw/zinc/61/47/77/573614777.db2.gz NXMXOUJCNASUPJ-RKDXNWHRSA-N 0 3 165.236 2.295 10 30 AEEEHN CCCCN1CC[C@@H](C#N)C1(C)C 259528539 573615561 /nfs/dbraw/zinc/61/55/61/573615561.db2.gz VTVPGEFZBPVVAJ-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN C=C[C@H](NC)c1ccc(F)c(OC)c1 130617285 573620078 /nfs/dbraw/zinc/62/00/78/573620078.db2.gz PQLGEFIBLDEDBM-JTQLQIEISA-N 0 3 195.237 2.281 10 30 AEEEHN CN[C@H](S)C1CCCCC1 259531333 573620821 /nfs/dbraw/zinc/62/08/21/573620821.db2.gz URVYYFGPKRBLNO-MRVPVSSYSA-N 0 3 159.298 2.042 10 30 AEEEHN C=CC[C@H](N)C(=O)CC1(C)CCCC1 308643633 573623054 /nfs/dbraw/zinc/62/30/54/573623054.db2.gz FQVCXSGSMRDKFW-JTQLQIEISA-N 0 3 195.306 2.429 10 30 AEEEHN C=C(C)CCC(=O)C1(NC)CCCC1 308644293 573623605 /nfs/dbraw/zinc/62/36/05/573623605.db2.gz GDWHQYQZISWALC-UHFFFAOYSA-N 0 3 195.306 2.444 10 30 AEEEHN C=CC[C@@H](N)C(=O)CC1(C)CCCC1 308643634 573624096 /nfs/dbraw/zinc/62/40/96/573624096.db2.gz FQVCXSGSMRDKFW-SNVBAGLBSA-N 0 3 195.306 2.429 10 30 AEEEHN CN[C@@H](S)C1CCCCC1 259531334 573624908 /nfs/dbraw/zinc/62/49/08/573624908.db2.gz URVYYFGPKRBLNO-QMMMGPOBSA-N 0 3 159.298 2.042 10 30 AEEEHN N#CC[C@@H]1C[C@@H](C2CCCC2)CCN1 259535296 573630557 /nfs/dbraw/zinc/63/05/57/573630557.db2.gz BZPGFOSNTHUUOX-NWDGAFQWSA-N 0 3 192.306 2.458 10 30 AEEEHN CC(C)(C=O)N1C[C@@H]2CCCCC[C@@H]21 687963241 573630603 /nfs/dbraw/zinc/63/06/03/573630603.db2.gz KFMMGGRBGGXEQI-QWRGUYRKSA-N 0 3 195.306 2.228 10 30 AEEEHN N#CC[C@H]1C[C@H](C2CCCC2)CCN1 259535295 573630864 /nfs/dbraw/zinc/63/08/64/573630864.db2.gz BZPGFOSNTHUUOX-NEPJUHHUSA-N 0 3 192.306 2.458 10 30 AEEEHN C=C[C@@H](NCC)c1coc(C)c1 130638343 573633311 /nfs/dbraw/zinc/63/33/11/573633311.db2.gz MHORQDNHGSRXBN-SNVBAGLBSA-N 0 3 165.236 2.425 10 30 AEEEHN CCCCCN1CC[C@H](C#N)[C@@H]1C 259143487 573633489 /nfs/dbraw/zinc/63/34/89/573633489.db2.gz DUYVAKKCHGYDSL-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CCCCCN1CC[C@@H](C#N)[C@H]1C 259143481 573633827 /nfs/dbraw/zinc/63/38/27/573633827.db2.gz DUYVAKKCHGYDSL-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CCCCCN1CC[C@@H](C#N)[C@@H]1C 259143484 573634123 /nfs/dbraw/zinc/63/41/23/573634123.db2.gz DUYVAKKCHGYDSL-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN C=CC[C@@H](C)n1cncc1[C@H](C)N 130645026 573639983 /nfs/dbraw/zinc/63/99/83/573639983.db2.gz ZBLUEGNBVSXRQN-BDAKNGLRSA-N 0 3 179.267 2.040 10 30 AEEEHN C[C@H](CC#N)N[C@@H]1CC[C@H]1C1CCC1 308652698 573641403 /nfs/dbraw/zinc/64/14/03/573641403.db2.gz LUUZHIFDIXYIFM-ADEWGFFLSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H](CC#N)N[C@H]1CC[C@@H]1C1CCC1 308652699 573641689 /nfs/dbraw/zinc/64/16/89/573641689.db2.gz LUUZHIFDIXYIFM-JLLWLGSASA-N 0 3 192.306 2.457 10 30 AEEEHN C=C[C@@H](NC)c1cc(OC)cs1 130727174 573642091 /nfs/dbraw/zinc/64/20/91/573642091.db2.gz SYARBIYEHFLQJJ-MRVPVSSYSA-N 0 3 183.276 2.203 10 30 AEEEHN C=CCCCNCc1ccoc1 130670319 573642873 /nfs/dbraw/zinc/64/28/73/573642873.db2.gz VCSSENBXUPYYMX-UHFFFAOYSA-N 0 3 165.236 2.335 10 30 AEEEHN C=C(CC)CNCc1ccoc1 130655448 573644336 /nfs/dbraw/zinc/64/43/36/573644336.db2.gz NSCNWZIQVOSHSB-UHFFFAOYSA-N 0 3 165.236 2.335 10 30 AEEEHN C=CCCCC(=O)C1(NC)CCCC1 308654280 573645983 /nfs/dbraw/zinc/64/59/83/573645983.db2.gz MMTUAEBUTFHPBU-UHFFFAOYSA-N 0 3 195.306 2.444 10 30 AEEEHN CC(C)CN1CC[C@H](C#N)C1(C)C 259539957 573646047 /nfs/dbraw/zinc/64/60/47/573646047.db2.gz WPOCWAUGIBGHJG-SNVBAGLBSA-N 0 3 180.295 2.266 10 30 AEEEHN CC(C)CN1CC[C@@H](C#N)C1(C)C 259539955 573646874 /nfs/dbraw/zinc/64/68/74/573646874.db2.gz WPOCWAUGIBGHJG-JTQLQIEISA-N 0 3 180.295 2.266 10 30 AEEEHN CN[C@@H](C1CCCC1)C1(C#N)CCC1 259539470 573647008 /nfs/dbraw/zinc/64/70/08/573647008.db2.gz VBZYAEGKBWKWMH-NSHDSACASA-N 0 3 192.306 2.458 10 30 AEEEHN CN[C@H](C1CCCC1)C1(C#N)CCC1 259539468 573649450 /nfs/dbraw/zinc/64/94/50/573649450.db2.gz VBZYAEGKBWKWMH-LLVKDONJSA-N 0 3 192.306 2.458 10 30 AEEEHN C=CCN[C@@H](C)c1cccc(CO)c1 308655613 573650319 /nfs/dbraw/zinc/65/03/19/573650319.db2.gz NXZWRFVAFGRPDN-JTQLQIEISA-N 0 3 191.274 2.016 10 30 AEEEHN N#CC[C@H]1CCN[C@H](c2ccco2)C1 259544274 573660598 /nfs/dbraw/zinc/66/05/98/573660598.db2.gz CVWZLWQMDBKOJD-UWVGGRQHSA-N 0 3 190.246 2.234 10 30 AEEEHN C=CCC[C@@H](C)N[C@@H](C)c1cc[nH]n1 308665473 573661345 /nfs/dbraw/zinc/66/13/45/573661345.db2.gz SFOCTODXFBLTIK-ZJUUUORDSA-N 0 3 193.294 2.415 10 30 AEEEHN C=CCCCN[C@@H](C)c1cncnc1 308666680 573661784 /nfs/dbraw/zinc/66/17/84/573661784.db2.gz STUDWKCIODDQPN-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCC[C@H](C)N[C@H](C)c1cc[nH]n1 308665470 573662231 /nfs/dbraw/zinc/66/22/31/573662231.db2.gz SFOCTODXFBLTIK-VHSXEESVSA-N 0 3 193.294 2.415 10 30 AEEEHN Cc1ccc(CCNCCCC#N)o1 258857673 573665930 /nfs/dbraw/zinc/66/59/30/573665930.db2.gz FDAFCJUYXFRFOS-UHFFFAOYSA-N 0 3 192.262 2.024 10 30 AEEEHN CC(C)CN1CC[C@@H](C#N)[C@H]1C1CC1 259550632 573671485 /nfs/dbraw/zinc/67/14/85/573671485.db2.gz DINRTBNTKWYEJQ-NWDGAFQWSA-N 0 3 192.306 2.266 10 30 AEEEHN C[C@@H](CC#N)N[C@H]1CCCC1(C)C 86874925 573670967 /nfs/dbraw/zinc/67/09/67/573670967.db2.gz YAWXJIIWLOAIRX-UWVGGRQHSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](CC#N)N[C@H]1CCCC1(C)C 86874927 573669677 /nfs/dbraw/zinc/66/96/77/573669677.db2.gz YAWXJIIWLOAIRX-ZJUUUORDSA-N 0 3 180.295 2.457 10 30 AEEEHN CCC1CC(N[C@H](CC)CC#N)C1 308412291 573670432 /nfs/dbraw/zinc/67/04/32/573670432.db2.gz LZBHNEXALBXVGX-HSOILSAZSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](CC#N)N[C@@H]1CCCC1(C)C 86874922 573670477 /nfs/dbraw/zinc/67/04/77/573670477.db2.gz YAWXJIIWLOAIRX-NXEZZACHSA-N 0 3 180.295 2.457 10 30 AEEEHN CC(C)CN1CC[C@H](C#N)[C@H]1C1CC1 259550634 573670875 /nfs/dbraw/zinc/67/08/75/573670875.db2.gz DINRTBNTKWYEJQ-VXGBXAGGSA-N 0 3 192.306 2.266 10 30 AEEEHN C=C[C@H](N)c1ccc(C)c(C)c1N 238476428 573671101 /nfs/dbraw/zinc/67/11/01/573671101.db2.gz DVGVQVDWSGDNQY-JTQLQIEISA-N 0 3 176.263 2.071 10 30 AEEEHN C[C@@H](CC#N)N[C@@H]1CCCC1(C)C 86874919 573672155 /nfs/dbraw/zinc/67/21/55/573672155.db2.gz YAWXJIIWLOAIRX-VHSXEESVSA-N 0 3 180.295 2.457 10 30 AEEEHN CC(C)CC(C#N)C(=O)C(C)C 43374814 573673105 /nfs/dbraw/zinc/67/31/05/573673105.db2.gz QITNSZGDGKOXOW-VIFPVBQESA-N 0 3 167.252 2.397 10 30 AEEEHN CC(C)CC(C#N)C(=O)C(C)C 43374816 573673765 /nfs/dbraw/zinc/67/37/65/573673765.db2.gz QITNSZGDGKOXOW-SECBINFHSA-N 0 3 167.252 2.397 10 30 AEEEHN CC(C)C(C)(C)CNCS 258871889 573674689 /nfs/dbraw/zinc/67/46/89/573674689.db2.gz GVBFRZJKTRJHQK-UHFFFAOYSA-N 0 3 161.314 2.146 10 30 AEEEHN CC(C)CC(C#N)C(=O)C1CC1 43374824 573674703 /nfs/dbraw/zinc/67/47/03/573674703.db2.gz YHZKOZSCKGUHPY-SECBINFHSA-N 0 3 165.236 2.151 10 30 AEEEHN CN[C@@H](C#Cc1ccccc1)C1CCC1 313551434 573675061 /nfs/dbraw/zinc/67/50/61/573675061.db2.gz TVIBCQRHXKODJF-AWEZNQCLSA-N 0 3 199.297 2.426 10 30 AEEEHN CC(C)CC(C#N)C(=O)C1CC1 43374822 573675473 /nfs/dbraw/zinc/67/54/73/573675473.db2.gz YHZKOZSCKGUHPY-VIFPVBQESA-N 0 3 165.236 2.151 10 30 AEEEHN CN[C@H](CC(C)C)C1(C#N)CCC1 259156975 573676710 /nfs/dbraw/zinc/67/67/10/573676710.db2.gz CTEYVWUDJXUFRG-SNVBAGLBSA-N 0 3 180.295 2.314 10 30 AEEEHN C=CCN[C@H](CC(F)(F)F)C1CC1 308413072 573677001 /nfs/dbraw/zinc/67/70/01/573677001.db2.gz PKUBCZABBHPCDG-MRVPVSSYSA-N 0 3 193.212 2.493 10 30 AEEEHN CC[C@@H](C#N)[C@@H](N)C1CCCCC1 259548299 573677666 /nfs/dbraw/zinc/67/76/66/573677666.db2.gz ULITVDZYBULYIQ-GXSJLCMTSA-N 0 3 180.295 2.444 10 30 AEEEHN CC[C@H](C#N)[C@H](N)C1CCCCC1 259548300 573680031 /nfs/dbraw/zinc/68/00/31/573680031.db2.gz ULITVDZYBULYIQ-KOLCDFICSA-N 0 3 180.295 2.444 10 30 AEEEHN CN[C@@H](CS)c1ccccc1F 259155664 573680921 /nfs/dbraw/zinc/68/09/21/573680921.db2.gz NJNRPFCSSSXGTC-VIFPVBQESA-N 0 3 185.267 2.016 10 30 AEEEHN C#CC[C@@H](C)N[C@H](C)c1cnoc1C 308672504 573683190 /nfs/dbraw/zinc/68/31/90/573683190.db2.gz VKGYJQBYXDLMJW-RKDXNWHRSA-N 0 3 192.262 2.045 10 30 AEEEHN CN[C@@H](CC(C)C)C1(C#N)CCC1 259156971 573683339 /nfs/dbraw/zinc/68/33/39/573683339.db2.gz CTEYVWUDJXUFRG-JTQLQIEISA-N 0 3 180.295 2.314 10 30 AEEEHN N#CCc1ccc2c(c1)CN(C1CC1)C2 214945921 573684338 /nfs/dbraw/zinc/68/43/38/573684338.db2.gz PIUVAWONDLIIPA-UHFFFAOYSA-N 0 3 198.269 2.231 10 30 AEEEHN CC1(C)CNCc2cc(C#N)sc21 259556425 573686847 /nfs/dbraw/zinc/68/68/47/573686847.db2.gz DRRFZVODTZWMLA-UHFFFAOYSA-N 0 3 192.287 2.001 10 30 AEEEHN CCc1ccc([C@H]([S-])C[NH3+])cc1 259158483 573688159 /nfs/dbraw/zinc/68/81/59/573688159.db2.gz IROQZPVBFTZONA-SNVBAGLBSA-N 0 3 181.304 2.179 10 30 AEEEHN N#CC1(CNCCC2CCC2)CCC1 258878319 573688653 /nfs/dbraw/zinc/68/86/53/573688653.db2.gz IUAQKSOLFDLGPU-UHFFFAOYSA-N 0 3 192.306 2.460 10 30 AEEEHN CC#CCCCCNCC(C)(C)C#N 308678598 573688821 /nfs/dbraw/zinc/68/88/21/573688821.db2.gz XAVDYOVEEVEPGL-UHFFFAOYSA-N 0 3 192.306 2.319 10 30 AEEEHN C#C/C=C/NC1CCCCCC1 238005084 573691461 /nfs/dbraw/zinc/69/14/61/573691461.db2.gz IIAZTZSJMZXIJA-XCVCLJGOSA-N 0 3 163.264 2.446 10 30 AEEEHN CCCC(C)(C)CNCCC#N 258883429 573692510 /nfs/dbraw/zinc/69/25/10/573692510.db2.gz IFXSCIKSZDNDPT-UHFFFAOYSA-N 0 3 168.284 2.316 10 30 AEEEHN C=C[C@H](N)c1cc(C)cc(C#N)c1 238479826 573692608 /nfs/dbraw/zinc/69/26/08/573692608.db2.gz AIIZILNQZPAEBX-NSHDSACASA-N 0 3 172.231 2.053 10 30 AEEEHN N#CC1(CNCCC2CCCC2)CC1 258885586 573696002 /nfs/dbraw/zinc/69/60/02/573696002.db2.gz JMNMUWFYUXXMLZ-UHFFFAOYSA-N 0 3 192.306 2.460 10 30 AEEEHN CC[C@H](C#N)[C@H](NC)C1CCCC1 259171867 573700005 /nfs/dbraw/zinc/70/00/05/573700005.db2.gz JHNFWIZANGJLEP-KOLCDFICSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)[C@@H]([C@H](C#N)C(C)C)N(C)C 259166194 573700846 /nfs/dbraw/zinc/70/08/46/573700846.db2.gz LYZSYNVMAXMXIJ-MNOVXSKESA-N 0 3 182.311 2.368 10 30 AEEEHN C[C@H](CC#N)N[C@@H]1CC[C@H](C2CC2)C1 308684685 573700854 /nfs/dbraw/zinc/70/08/54/573700854.db2.gz YWBUCTXONCWGMF-ADEWGFFLSA-N 0 3 192.306 2.457 10 30 AEEEHN C=C[C@@H](N)c1ccc(C#N)cc1C 238483011 573699967 /nfs/dbraw/zinc/69/99/67/573699967.db2.gz CIWGLMBSTOSHGM-LLVKDONJSA-N 0 3 172.231 2.053 10 30 AEEEHN CC[C@@H](C#N)[C@@H](NC)C1CCCC1 259171864 573701272 /nfs/dbraw/zinc/70/12/72/573701272.db2.gz JHNFWIZANGJLEP-GXSJLCMTSA-N 0 3 180.295 2.314 10 30 AEEEHN C=C[C@H](N)c1ccc(C#N)cc1C 238482501 573701607 /nfs/dbraw/zinc/70/16/07/573701607.db2.gz CIWGLMBSTOSHGM-NSHDSACASA-N 0 3 172.231 2.053 10 30 AEEEHN C[C@H](CC#N)N[C@H]1CC[C@@H](C2CC2)C1 308684686 573703418 /nfs/dbraw/zinc/70/34/18/573703418.db2.gz YWBUCTXONCWGMF-JLLWLGSASA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H](C#N)[C@H](NC)C1CCCC1 259171871 573705683 /nfs/dbraw/zinc/70/56/83/573705683.db2.gz JHNFWIZANGJLEP-ONGXEEELSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H]1CCCCC[C@H]1NCCC#N 83949056 573707514 /nfs/dbraw/zinc/70/75/14/573707514.db2.gz PCEYMXVYOZLJNO-WDEREUQCSA-N 0 3 180.295 2.458 10 30 AEEEHN C[C@@H]1CCCCC[C@H]1NCCC#N 83949055 573707745 /nfs/dbraw/zinc/70/77/45/573707745.db2.gz PCEYMXVYOZLJNO-GHMZBOCLSA-N 0 3 180.295 2.458 10 30 AEEEHN Cc1cc([C@@H]([S-])C[NH3+])ccc1F 259172202 573709475 /nfs/dbraw/zinc/70/94/75/573709475.db2.gz JJZIMVNSARPSHK-VIFPVBQESA-N 0 3 185.267 2.064 10 30 AEEEHN Cc1ccc2c(c1C#N)[C@H](N)CCC2 238490810 573709718 /nfs/dbraw/zinc/70/97/18/573709718.db2.gz JULPCHNOVOARDJ-LLVKDONJSA-N 0 3 186.258 2.203 10 30 AEEEHN C[C@@H]1CCCCC[C@@H]1NCCC#N 83949053 573709900 /nfs/dbraw/zinc/70/99/00/573709900.db2.gz PCEYMXVYOZLJNO-MNOVXSKESA-N 0 3 180.295 2.458 10 30 AEEEHN N#CC[C@H]1CCN[C@@H](c2ccoc2)C1 259562323 573715904 /nfs/dbraw/zinc/71/59/04/573715904.db2.gz FGTAELBRDMJOPU-GXSJLCMTSA-N 0 3 190.246 2.234 10 30 AEEEHN N#CC[C@@H]1CCN[C@H](c2ccoc2)C1 259562325 573717204 /nfs/dbraw/zinc/71/72/04/573717204.db2.gz FGTAELBRDMJOPU-KOLCDFICSA-N 0 3 190.246 2.234 10 30 AEEEHN CC[C@H](C)CCNC[C@H](C)C#N 394394110 573722171 /nfs/dbraw/zinc/72/21/71/573722171.db2.gz BDUQEGUHHRLAJY-VHSXEESVSA-N 0 3 168.284 2.172 10 30 AEEEHN C=CC1(NCc2ccccc2)CC1 238044165 573722231 /nfs/dbraw/zinc/72/22/31/573722231.db2.gz KOBRUXPUNKNHDO-UHFFFAOYSA-N 0 3 173.259 2.495 10 30 AEEEHN C=C(C(C)=O)[C@H](N)c1ccc(C)cc1 238041876 573722848 /nfs/dbraw/zinc/72/28/48/573722848.db2.gz RTTPDRBHUUEVMS-LBPRGKRZSA-N 0 3 189.258 2.140 10 30 AEEEHN C=C[C@H](N)c1cc2c(cc1C)OCC2 238485891 573726236 /nfs/dbraw/zinc/72/62/36/573726236.db2.gz OXSLJUJFPWYPAL-NSHDSACASA-N 0 3 189.258 2.116 10 30 AEEEHN C=C[C@@H]1N[C@@H](C)Cc2ccccc21 238485835 573726272 /nfs/dbraw/zinc/72/62/72/573726272.db2.gz HLEARAYVZNEFEZ-CABZTGNLSA-N 0 3 173.259 2.448 10 30 AEEEHN CN[C@H](C#Cc1ccccc1)C1(C)CC1 313574412 573726642 /nfs/dbraw/zinc/72/66/42/573726642.db2.gz RAEUBYZUFVITTE-CYBMUJFWSA-N 0 3 199.297 2.426 10 30 AEEEHN CC#CCN(C)CCSCC(C)C 393500801 573727431 /nfs/dbraw/zinc/72/74/31/573727431.db2.gz YKKDUGNPQXJYHB-UHFFFAOYSA-N 0 3 199.363 2.331 10 30 AEEEHN C=C(CC=O)CC1CCN(CC)CC1 258109060 573727539 /nfs/dbraw/zinc/72/75/39/573727539.db2.gz HOEPOUDCYSZMTD-UHFFFAOYSA-N 0 3 195.306 2.254 10 30 AEEEHN CC[C@@H]1CCN([C@@H](C)CC#N)C1 108286229 573729431 /nfs/dbraw/zinc/72/94/31/573729431.db2.gz FVRXXVZWXUGYHQ-VHSXEESVSA-N 0 3 166.268 2.020 10 30 AEEEHN C[C@H]1CCCCCC(C#N)C1=O 238487877 573729825 /nfs/dbraw/zinc/72/98/25/573729825.db2.gz NXMXOUJCNASUPJ-IUCAKERBSA-N 0 3 165.236 2.295 10 30 AEEEHN C=CC[C@@H](N)c1ccc(C)cc1C#N 238487961 573730070 /nfs/dbraw/zinc/73/00/70/573730070.db2.gz HCQKMYJMOFMPAC-GFCCVEGCSA-N 0 3 186.258 2.443 10 30 AEEEHN CCN[C@H](C#Cc1ccccc1)C1CC1 313568351 573737265 /nfs/dbraw/zinc/73/72/65/573737265.db2.gz MCQUTSFAWBKAOA-CQSZACIVSA-N 0 3 199.297 2.426 10 30 AEEEHN CC(C)[C@@H]1CCN([C@@H](C)CC#N)C1 108293310 573737381 /nfs/dbraw/zinc/73/73/81/573737381.db2.gz NIYOJELDTIQAHU-WDEREUQCSA-N 0 3 180.295 2.266 10 30 AEEEHN SCNCCC1CCCCC1 258899614 573741265 /nfs/dbraw/zinc/74/12/65/573741265.db2.gz KRVGXEBKWASNCZ-UHFFFAOYSA-N 0 3 173.325 2.434 10 30 AEEEHN C=CC[C@H](N)c1c(C)cccc1C#N 238500066 573741706 /nfs/dbraw/zinc/74/17/06/573741706.db2.gz DCTBPXZISMBILF-NSHDSACASA-N 0 3 186.258 2.443 10 30 AEEEHN C=CC[C@@H](N)c1c(C)cccc1C#N 238500390 573742022 /nfs/dbraw/zinc/74/20/22/573742022.db2.gz DCTBPXZISMBILF-LLVKDONJSA-N 0 3 186.258 2.443 10 30 AEEEHN C=C[C@H](N)c1cnc(C)cc1Cl 238499944 573742101 /nfs/dbraw/zinc/74/21/01/573742101.db2.gz VCZDYPLKWWREIJ-VIFPVBQESA-N 0 3 182.654 2.229 10 30 AEEEHN CC(C)(CNCS)C1CCC1 258903529 573743629 /nfs/dbraw/zinc/74/36/29/573743629.db2.gz LDMDTHREFLNDGW-UHFFFAOYSA-N 0 3 173.325 2.290 10 30 AEEEHN CC[C@@H]1[C@H](C#N)CCCCN1C 259619472 573744125 /nfs/dbraw/zinc/74/41/25/573744125.db2.gz HVLJSUAZLJEQQC-VHSXEESVSA-N 0 3 166.268 2.020 10 30 AEEEHN CC(C)[C@H](C#N)CNCC1CCC1 258900512 573745111 /nfs/dbraw/zinc/74/51/11/573745111.db2.gz DUULWZGFKLOPKE-LLVKDONJSA-N 0 3 180.295 2.172 10 30 AEEEHN CC(C)(C)N1C[C@@H](C#N)CC1(C)C 259175914 573748958 /nfs/dbraw/zinc/74/89/58/573748958.db2.gz AVIKVMGQTOMSHO-SECBINFHSA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C)(C#N)[C@@H](N)C1CCCC1 259181571 573752033 /nfs/dbraw/zinc/75/20/33/573752033.db2.gz CSDIFPPNQRIJSD-VIFPVBQESA-N 0 3 166.268 2.054 10 30 AEEEHN CC(C)(C#N)[C@H](N)C1CCCC1 259181569 573751594 /nfs/dbraw/zinc/75/15/94/573751594.db2.gz CSDIFPPNQRIJSD-SECBINFHSA-N 0 3 166.268 2.054 10 30 AEEEHN SCCCN1Cc2ccccc2C1 87051020 573758576 /nfs/dbraw/zinc/75/85/76/573758576.db2.gz ORZYDVXHHHSUHU-UHFFFAOYSA-N 0 3 193.315 2.322 10 30 AEEEHN C=C[C@H](N)c1cc(C)c(C#N)c(C)c1 238508368 573761608 /nfs/dbraw/zinc/76/16/08/573761608.db2.gz SGJVNLASLCCJAH-LBPRGKRZSA-N 0 3 186.258 2.361 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1N[C@H]1CC=CCC1 84067803 573762389 /nfs/dbraw/zinc/76/23/89/573762389.db2.gz XKBUQNXIWCJOAM-SRVKXCTJSA-N 0 3 190.290 2.377 10 30 AEEEHN N#C[C@@H]1CCC[C@H]1N[C@H]1CC=CCC1 84067798 573762552 /nfs/dbraw/zinc/76/25/52/573762552.db2.gz XKBUQNXIWCJOAM-SDDRHHMPSA-N 0 3 190.290 2.377 10 30 AEEEHN CCCOCCCN[C@@H](CC)CC#N 130998439 573762739 /nfs/dbraw/zinc/76/27/39/573762739.db2.gz MMMMDRYFLIRZQB-NSHDSACASA-N 0 3 198.310 2.085 10 30 AEEEHN C=C[C@H](N)c1cc(C)c(C#N)cc1C 238508022 573763061 /nfs/dbraw/zinc/76/30/61/573763061.db2.gz UQKDLZOVYWTQSY-LBPRGKRZSA-N 0 3 186.258 2.361 10 30 AEEEHN C=C(C)CNc1ccccc1CN 238089431 573763295 /nfs/dbraw/zinc/76/32/95/573763295.db2.gz ONAVASPQZWTTFV-UHFFFAOYSA-N 0 3 176.263 2.133 10 30 AEEEHN CN(CCS)Cc1cccs1 87057836 573763403 /nfs/dbraw/zinc/76/34/03/573763403.db2.gz PNYIESXPCJPOEZ-UHFFFAOYSA-N 0 3 187.333 2.110 10 30 AEEEHN C=CC[C@@H](NC)c1ncccc1F 130986183 573765778 /nfs/dbraw/zinc/76/57/78/573765778.db2.gz DVBQCMDGWWFSBC-SECBINFHSA-N 0 3 180.226 2.057 10 30 AEEEHN C=C[C@H](N)c1cc(C)c(N)cc1Cl 238508097 573765962 /nfs/dbraw/zinc/76/59/62/573765962.db2.gz AZJNOHZHZBLARE-VIFPVBQESA-N 0 3 196.681 2.416 10 30 AEEEHN C=C(Cl)CNCCCOCCC 130999502 573766350 /nfs/dbraw/zinc/76/63/50/573766350.db2.gz OAOPTSQVHDYWBD-UHFFFAOYSA-N 0 3 191.702 2.145 10 30 AEEEHN CCCOCCCN[C@H](CC)CC#N 130998660 573766492 /nfs/dbraw/zinc/76/64/92/573766492.db2.gz MMMMDRYFLIRZQB-LLVKDONJSA-N 0 3 198.310 2.085 10 30 AEEEHN C=CC[C@H](NC)c1ncccc1F 130985919 573766525 /nfs/dbraw/zinc/76/65/25/573766525.db2.gz DVBQCMDGWWFSBC-VIFPVBQESA-N 0 3 180.226 2.057 10 30 AEEEHN CN(CCS)Cc1ccsc1 87057785 573766549 /nfs/dbraw/zinc/76/65/49/573766549.db2.gz BPWVXRGSBSCOAH-UHFFFAOYSA-N 0 3 187.333 2.110 10 30 AEEEHN Cc1ccc(CN(C)CCCS)o1 87057869 573766726 /nfs/dbraw/zinc/76/67/26/573766726.db2.gz OFBXEIZVBINONQ-UHFFFAOYSA-N 0 3 199.319 2.340 10 30 AEEEHN Cc1ccccc1[C@H]1C[C@@H](C#N)CN1 108339909 573768808 /nfs/dbraw/zinc/76/88/08/573768808.db2.gz DZJWQSRXOUSOME-CMPLNLGQSA-N 0 3 186.258 2.169 10 30 AEEEHN C=C[C@H](N)c1ccc([N+](=O)[O-])c(C)c1 238508800 573768929 /nfs/dbraw/zinc/76/89/29/573768929.db2.gz UOZDVHJDGLZYOH-VIFPVBQESA-N 0 3 192.218 2.089 10 30 AEEEHN C=C[C@H](C)NC/C=C/c1ccco1 127088744 573771843 /nfs/dbraw/zinc/77/18/43/573771843.db2.gz STJUVIVXRGGTPU-RWCYGVJQSA-N 0 3 177.247 2.457 10 30 AEEEHN CC(C)[C@@H]1CCCN1C[C@@H](C)C#N 84126004 573777099 /nfs/dbraw/zinc/77/70/99/573777099.db2.gz HTHWPSKDJPWKBN-QWRGUYRKSA-N 0 3 180.295 2.266 10 30 AEEEHN CC(C)CN1CCC[C@H](C#N)[C@H]1C 259619939 573777632 /nfs/dbraw/zinc/77/76/32/573777632.db2.gz GSBKWWIZMPPXPB-GHMZBOCLSA-N 0 3 180.295 2.266 10 30 AEEEHN C=CC[NH2+]Cc1cc(C)c(C)cc1[O-] 308740115 573784957 /nfs/dbraw/zinc/78/49/57/573784957.db2.gz OCZMDBGVORKUEX-UHFFFAOYSA-N 0 3 191.274 2.285 10 30 AEEEHN CCN(CCC#N)[C@@H]1CC[C@H](C)C1 308431634 573785402 /nfs/dbraw/zinc/78/54/02/573785402.db2.gz UFLLCJJAVGFENK-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)([S-])C[NH2+]C(C)(C)C 238103670 573791901 /nfs/dbraw/zinc/79/19/01/573791901.db2.gz MBIYRPVPTCLEDA-UHFFFAOYSA-N 0 3 161.314 2.083 10 30 AEEEHN C=CC[C@@H](C)[C@@H](N)c1ccco1 715010818 573796345 /nfs/dbraw/zinc/79/63/45/573796345.db2.gz QJPINHTYNWNWCV-PSASIEDQSA-N 0 3 165.236 2.492 10 30 AEEEHN C=C[C@@H](N)c1ccc([N+](=O)[O-])c(C)c1 238520196 573796490 /nfs/dbraw/zinc/79/64/90/573796490.db2.gz UOZDVHJDGLZYOH-SECBINFHSA-N 0 3 192.218 2.089 10 30 AEEEHN CCN(CCC#N)[C@@H]1CCC[C@H]1C 308442148 573796745 /nfs/dbraw/zinc/79/67/45/573796745.db2.gz ZGGMWARTGVQWSQ-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CCC#N)[C@H]1CCC[C@@H]1C 308442152 573797080 /nfs/dbraw/zinc/79/70/80/573797080.db2.gz ZGGMWARTGVQWSQ-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CCC#N)[C@@H]1CCC[C@@H]1C 308442155 573797504 /nfs/dbraw/zinc/79/75/04/573797504.db2.gz ZGGMWARTGVQWSQ-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN C=C[C@H](N)c1cccc(C#N)c1C 238521287 573800486 /nfs/dbraw/zinc/80/04/86/573800486.db2.gz SFWQEDPHSSRANN-NSHDSACASA-N 0 3 172.231 2.053 10 30 AEEEHN Cc1nc2ccc(NCS)cc2[nH]1 258957675 573805374 /nfs/dbraw/zinc/80/53/74/573805374.db2.gz SHNOKEHJDDXBRK-UHFFFAOYSA-N 0 3 193.275 2.171 10 30 AEEEHN Cc1ccccc1[C@@H](N)CCC#N 259196304 573809086 /nfs/dbraw/zinc/80/90/86/573809086.db2.gz DGVISXGRZFXPMT-NSHDSACASA-N 0 3 174.247 2.299 10 30 AEEEHN Cc1ccc(C#N)c([C@@H](N)C2CC2)c1 238529428 573809160 /nfs/dbraw/zinc/80/91/60/573809160.db2.gz UHBSIDZSBROGSQ-LBPRGKRZSA-N 0 3 186.258 2.277 10 30 AEEEHN Cc1ccc(C#N)c([C@H](N)C2CC2)c1 238529827 573808418 /nfs/dbraw/zinc/80/84/18/573808418.db2.gz UHBSIDZSBROGSQ-GFCCVEGCSA-N 0 3 186.258 2.277 10 30 AEEEHN N[C@H](CS)c1coc2ccccc12 259199476 573815484 /nfs/dbraw/zinc/81/54/84/573815484.db2.gz QCYZROAQMZHHHO-SECBINFHSA-N 0 3 193.271 2.362 10 30 AEEEHN C=CCOc1cccc(Cl)c1CN 127370561 573817357 /nfs/dbraw/zinc/81/73/57/573817357.db2.gz LRQWZVRGQZOGSC-UHFFFAOYSA-N 0 3 197.665 2.364 10 30 AEEEHN C=C[C@@H](N)c1cccc(C#N)c1C 238521956 573817230 /nfs/dbraw/zinc/81/72/30/573817230.db2.gz SFWQEDPHSSRANN-LLVKDONJSA-N 0 3 172.231 2.053 10 30 AEEEHN C=CCNCc1ccc(C#N)c(C)c1 308753223 573827942 /nfs/dbraw/zinc/82/79/42/573827942.db2.gz VKPSZPHGVMZOIA-UHFFFAOYSA-N 0 3 186.258 2.142 10 30 AEEEHN CN(C)[C@H](CCS)c1cccnc1 259206663 573833054 /nfs/dbraw/zinc/83/30/54/573833054.db2.gz AAQKAHVWHRHUAZ-SNVBAGLBSA-N 0 3 196.319 2.004 10 30 AEEEHN C=C(CN)c1ccc(Cl)s1 258149285 573833184 /nfs/dbraw/zinc/83/31/84/573833184.db2.gz KGXZXJUMTMIEPX-UHFFFAOYSA-N 0 3 173.668 2.373 10 30 AEEEHN CN(C)[C@@H](CCS)c1cccnc1 259206660 573834402 /nfs/dbraw/zinc/83/44/02/573834402.db2.gz AAQKAHVWHRHUAZ-JTQLQIEISA-N 0 3 196.319 2.004 10 30 AEEEHN CCC(CC)N(C)CC1(C#N)CC1 308448672 573837023 /nfs/dbraw/zinc/83/70/23/573837023.db2.gz CKGJKLPXVCPCLE-UHFFFAOYSA-N 0 3 180.295 2.411 10 30 AEEEHN C=C(C)CN[C@H](CC)c1cncn1C 308760228 573839649 /nfs/dbraw/zinc/83/96/49/573839649.db2.gz XPORDUWGSZBYAI-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN C=CC[C@@H]([NH3+])c1c(C)cccc1[O-] 238536861 573843209 /nfs/dbraw/zinc/84/32/09/573843209.db2.gz FUQUWBXPZKHUBQ-SECBINFHSA-N 0 3 177.247 2.277 10 30 AEEEHN C=CCC[C@@H](N)c1ncccc1F 131345325 573844879 /nfs/dbraw/zinc/84/48/79/573844879.db2.gz FTYKTSWLUHNADJ-SECBINFHSA-N 0 3 180.226 2.187 10 30 AEEEHN CC(C)(N)c1ccc(Cl)cc1C#N 238152502 573848536 /nfs/dbraw/zinc/84/85/36/573848536.db2.gz SYAFFKWPHMKXQY-UHFFFAOYSA-N 0 3 194.665 2.405 10 30 AEEEHN CC[C@H](C)N1CC[C@H](C#N)[C@@H]1C 259210731 573850200 /nfs/dbraw/zinc/85/02/00/573850200.db2.gz JORWSEXYADZSEG-LPEHRKFASA-N 0 3 166.268 2.019 10 30 AEEEHN CC[C@@H](CC#N)N1CCC(C)(C)C1 87254238 573851827 /nfs/dbraw/zinc/85/18/27/573851827.db2.gz CTPHFSPEBLZAAQ-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN Cc1ccc([C@H](N)C2CC2)c(C#N)c1 238530850 573853544 /nfs/dbraw/zinc/85/35/44/573853544.db2.gz PFZCFKLNRBVEDX-GFCCVEGCSA-N 0 3 186.258 2.277 10 30 AEEEHN CC[C@H](CC#N)N1CCC(C)(C)C1 87254240 573853630 /nfs/dbraw/zinc/85/36/30/573853630.db2.gz CTPHFSPEBLZAAQ-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@H](C)N1CC[C@@H](C#N)[C@H]1C 259210722 573855520 /nfs/dbraw/zinc/85/55/20/573855520.db2.gz JORWSEXYADZSEG-AEJSXWLSSA-N 0 3 166.268 2.019 10 30 AEEEHN CC1(C)CCN([C@H]2CCC[C@@H]2C#N)C1 87254236 573856225 /nfs/dbraw/zinc/85/62/25/573856225.db2.gz SVHDHVVINXKRDK-MNOVXSKESA-N 0 3 192.306 2.411 10 30 AEEEHN C=CC[C@H](N)c1cc(C)ccc1C#N 238542562 573855925 /nfs/dbraw/zinc/85/59/25/573855925.db2.gz OVBNIBRHQBFZIH-LBPRGKRZSA-N 0 3 186.258 2.443 10 30 AEEEHN C=C[C@@H](N)c1cc(C#N)ccc1C 238546174 573859914 /nfs/dbraw/zinc/85/99/14/573859914.db2.gz NUTQOOJOLMVDMJ-LLVKDONJSA-N 0 3 172.231 2.053 10 30 AEEEHN CC(C)(C)[C@H](C=O)N1CCCCC1 238167331 573860242 /nfs/dbraw/zinc/86/02/42/573860242.db2.gz XUVZZFWQKDSPIT-JTQLQIEISA-N 0 3 183.295 2.086 10 30 AEEEHN C=CCN(CC)Cc1cccc(N)c1 131509571 573863328 /nfs/dbraw/zinc/86/33/28/573863328.db2.gz HVURRFNMDAOMQJ-UHFFFAOYSA-N 0 3 190.290 2.277 10 30 AEEEHN CN(CC=O)C1CCC(C)(C)CC1 87287541 573863893 /nfs/dbraw/zinc/86/38/93/573863893.db2.gz DAWUZSLQCUHYLW-UHFFFAOYSA-N 0 3 183.295 2.086 10 30 AEEEHN CC(C)[C@H](N)c1cc(F)ccc1C#N 238172228 573867423 /nfs/dbraw/zinc/86/74/23/573867423.db2.gz ANJKAEFGCSLPIY-NSHDSACASA-N 0 3 192.237 2.353 10 30 AEEEHN C=CCN(C)CCNc1ccccc1 131437696 573869003 /nfs/dbraw/zinc/86/90/03/573869003.db2.gz GSXQTQXCWHRBBL-UHFFFAOYSA-N 0 3 190.290 2.216 10 30 AEEEHN N#CC[C@]12CCCC[C@@H]1CCCN2 238549996 573869525 /nfs/dbraw/zinc/86/95/25/573869525.db2.gz DIBXPGFZWZLUKW-GHMZBOCLSA-N 0 3 178.279 2.212 10 30 AEEEHN N#CC[C@H]1CC[C@@H](c2ccccc2)N1 238549837 573869544 /nfs/dbraw/zinc/86/95/44/573869544.db2.gz WSVWQVCVRYPIIY-NEPJUHHUSA-N 0 3 186.258 2.393 10 30 AEEEHN C=CC[C@H](C)N1CCCC[C@@H]1C=O 715033762 573869572 /nfs/dbraw/zinc/86/95/72/573869572.db2.gz KKAILOJCPGMUJF-WDEREUQCSA-N 0 3 181.279 2.004 10 30 AEEEHN C=CC[C@H](C)N1CCCC[C@H]1C=O 715033760 573869668 /nfs/dbraw/zinc/86/96/68/573869668.db2.gz KKAILOJCPGMUJF-QWRGUYRKSA-N 0 3 181.279 2.004 10 30 AEEEHN N#CC[C@]12CCCC[C@H]1CCCN2 238550013 573869713 /nfs/dbraw/zinc/86/97/13/573869713.db2.gz DIBXPGFZWZLUKW-WDEREUQCSA-N 0 3 178.279 2.212 10 30 AEEEHN C=CC[C@@H](C)N1CCCC[C@@H]1C=O 715033758 573869872 /nfs/dbraw/zinc/86/98/72/573869872.db2.gz KKAILOJCPGMUJF-GHMZBOCLSA-N 0 3 181.279 2.004 10 30 AEEEHN C=CC[C@@H](C)N1CCCC[C@H]1C=O 715033759 573869924 /nfs/dbraw/zinc/86/99/24/573869924.db2.gz KKAILOJCPGMUJF-MNOVXSKESA-N 0 3 181.279 2.004 10 30 AEEEHN N=CNc1cccc(C(F)(F)F)c1 238550442 573871931 /nfs/dbraw/zinc/87/19/31/573871931.db2.gz RNEKLCJVZBQKRL-UHFFFAOYSA-N 0 3 188.152 2.324 10 30 AEEEHN C=C(C)C[C@H](NC)c1ncccc1F 131457628 573878792 /nfs/dbraw/zinc/87/87/92/573878792.db2.gz QUMVWUBHEFYVFX-JTQLQIEISA-N 0 3 194.253 2.447 10 30 AEEEHN C=CCC[C@H](NC)c1ncccc1F 131473769 573881207 /nfs/dbraw/zinc/88/12/07/573881207.db2.gz NGURIMININVGKY-JTQLQIEISA-N 0 3 194.253 2.447 10 30 AEEEHN C=CCN(CC)Cc1ccccc1N 131488330 573881381 /nfs/dbraw/zinc/88/13/81/573881381.db2.gz HZBOMADPAVUTEE-UHFFFAOYSA-N 0 3 190.290 2.277 10 30 AEEEHN CC(C)[C@H](N)c1ccc(F)cc1C#N 238177597 573882041 /nfs/dbraw/zinc/88/20/41/573882041.db2.gz JBOKENVOYGASRR-NSHDSACASA-N 0 3 192.237 2.353 10 30 AEEEHN CC(C#N)C(=O)C1(C)CCCC1 87316761 573884791 /nfs/dbraw/zinc/88/47/91/573884791.db2.gz KHMKBNHKOGCEJD-QMMMGPOBSA-N 0 3 165.236 2.295 10 30 AEEEHN C=C[C@H](N)c1ccc([N+](=O)[O-])cc1C 238554256 573886891 /nfs/dbraw/zinc/88/68/91/573886891.db2.gz LBNXVFKVNHNYFQ-JTQLQIEISA-N 0 3 192.218 2.089 10 30 AEEEHN N#Cc1cccc([C@@H]2CCN2)c1Cl 238560567 573887200 /nfs/dbraw/zinc/88/72/00/573887200.db2.gz LDLULQZCQHUFRO-VIFPVBQESA-N 0 3 192.649 2.246 10 30 AEEEHN C=CC[C@H](NC)c1ccoc1 69946761 573887212 /nfs/dbraw/zinc/88/72/12/573887212.db2.gz VKLAZNWZXZVBIS-VIFPVBQESA-N 0 3 151.209 2.116 10 30 AEEEHN C=C[C@@H](N)c1cc(C#N)ccc1Cl 238564688 573887349 /nfs/dbraw/zinc/88/73/49/573887349.db2.gz OBNPHXMPBZTDNM-SNVBAGLBSA-N 0 3 192.649 2.397 10 30 AEEEHN CSC[C@H](C)N[C@@H]1CCC[C@@H]1C#N 127521224 573887471 /nfs/dbraw/zinc/88/74/71/573887471.db2.gz QQPNBOPIJLNKMT-IVZWLZJFSA-N 0 3 198.335 2.020 10 30 AEEEHN CC(C)(CNCC=O)C1CCCCC1 258984271 573887697 /nfs/dbraw/zinc/88/76/97/573887697.db2.gz YKXNYGGDRWTFBX-UHFFFAOYSA-N 0 3 197.322 2.381 10 30 AEEEHN C#CCC[C@@H](NCC)c1ccoc1 69946871 573887787 /nfs/dbraw/zinc/88/77/87/573887787.db2.gz JBZXMZHNYHPNCJ-LLVKDONJSA-N 0 3 177.247 2.344 10 30 AEEEHN CCCC(C#N)C(=O)C1CCC1 84428164 573887883 /nfs/dbraw/zinc/88/78/83/573887883.db2.gz QAWZHGOCRPAAHY-VIFPVBQESA-N 0 3 165.236 2.295 10 30 AEEEHN CC#CC[C@H](NCC)c1ccoc1 69946873 573888131 /nfs/dbraw/zinc/88/81/31/573888131.db2.gz PBJDLARNIFCDFE-NSHDSACASA-N 0 3 177.247 2.344 10 30 AEEEHN C=CC[C@@H](NC)c1ccoc1 69946763 573888402 /nfs/dbraw/zinc/88/84/02/573888402.db2.gz VKLAZNWZXZVBIS-SECBINFHSA-N 0 3 151.209 2.116 10 30 AEEEHN C=C[C@@H](N)c1[nH]ccc1C(F)(F)F 238561599 573888680 /nfs/dbraw/zinc/88/86/80/573888680.db2.gz MIFRSSGPVVHWOH-ZCFIWIBFSA-N 0 3 190.168 2.219 10 30 AEEEHN C=C[C@@H](N)c1c[nH]cc1C(F)(F)F 238563672 573894474 /nfs/dbraw/zinc/89/44/74/573894474.db2.gz SVLKDSJORCNZDZ-SSDOTTSWSA-N 0 3 190.168 2.219 10 30 AEEEHN C=C[C@@H](N)c1c[nH]c(C(F)(F)F)c1 238563383 573894543 /nfs/dbraw/zinc/89/45/43/573894543.db2.gz MOXTUYFVQBUYRB-ZCFIWIBFSA-N 0 3 190.168 2.219 10 30 AEEEHN CC(C)N1CC[C@@H](C#N)C1(C)C 259225250 573903890 /nfs/dbraw/zinc/90/38/90/573903890.db2.gz DETDMBACIBRDIP-VIFPVBQESA-N 0 3 166.268 2.019 10 30 AEEEHN C=C[C@](C)(C(C)C)[C@@H]1NCCS1 238192807 573904975 /nfs/dbraw/zinc/90/49/75/573904975.db2.gz NHTAAQJKGKNUNO-NXEZZACHSA-N 0 3 185.336 2.497 10 30 AEEEHN CN[C@@H](C1CCC1)C1(C#N)CCC1 259584229 573905733 /nfs/dbraw/zinc/90/57/33/573905733.db2.gz XIMMPHFMQHAPJE-JTQLQIEISA-N 0 3 178.279 2.068 10 30 AEEEHN CC(C)N(CCC#N)CCCCC#N 44414957 573911608 /nfs/dbraw/zinc/91/16/08/573911608.db2.gz DHRVIRWMNQDKIF-UHFFFAOYSA-N 0 3 193.294 2.304 10 30 AEEEHN CC(C)[C@H](N)c1ccsc1C#N 238182642 573912641 /nfs/dbraw/zinc/91/26/41/573912641.db2.gz XTQFNXXUEUEGAB-VIFPVBQESA-N 0 3 180.276 2.276 10 30 AEEEHN CCCN(CC1CC1)C[C@H](C)C#N 42207023 573923079 /nfs/dbraw/zinc/92/30/79/573923079.db2.gz MXDMZTWWGPMEPW-SNVBAGLBSA-N 0 3 180.295 2.268 10 30 AEEEHN CCCN(CC1CC1)C[C@@H](C)C#N 42207020 573927862 /nfs/dbraw/zinc/92/78/62/573927862.db2.gz MXDMZTWWGPMEPW-JTQLQIEISA-N 0 3 180.295 2.268 10 30 AEEEHN CC(C)(C#N)[C@H](N)C1CCCCC1 259585552 573929760 /nfs/dbraw/zinc/92/97/60/573929760.db2.gz WIJXPJGXZQNIGN-SNVBAGLBSA-N 0 3 180.295 2.444 10 30 AEEEHN CC(C)C[C@@H](C)N(C)C(=O)C(C)C#N 44826685 573930725 /nfs/dbraw/zinc/93/07/25/573930725.db2.gz JSEOVBXSKYVPBD-VHSXEESVSA-N 0 3 196.294 2.039 10 30 AEEEHN N#CCC[C@H](N)c1ccc(F)cc1 259242847 573931162 /nfs/dbraw/zinc/93/11/62/573931162.db2.gz GBMJQUXGNZWZRX-JTQLQIEISA-N 0 3 178.210 2.129 10 30 AEEEHN CC(C)(C#N)[C@@H](N)C1CCCCC1 259585551 573931234 /nfs/dbraw/zinc/93/12/34/573931234.db2.gz WIJXPJGXZQNIGN-JTQLQIEISA-N 0 3 180.295 2.444 10 30 AEEEHN CCCN=CNc1ccc(O)cc1C 238211855 573960779 /nfs/dbraw/zinc/96/07/79/573960779.db2.gz KQHJFVYCLYWMQP-UHFFFAOYSA-N 0 3 192.262 2.360 10 30 AEEEHN CN1CCC([C@@]2(C#N)CC2(C)C)CC1 259029558 573964506 /nfs/dbraw/zinc/96/45/06/573964506.db2.gz RBXLFQRGWFSRCG-LBPRGKRZSA-N 0 3 192.306 2.268 10 30 AEEEHN CN1CCC([C@]2(C#N)CC2(C)C)CC1 259029555 573966334 /nfs/dbraw/zinc/96/63/34/573966334.db2.gz RBXLFQRGWFSRCG-GFCCVEGCSA-N 0 3 192.306 2.268 10 30 AEEEHN CC[C@H](C)[C@H](C)N[C@@H](C)CC#N 42555572 573970147 /nfs/dbraw/zinc/97/01/47/573970147.db2.gz FKMVOVPWOFCBGP-GUBZILKMSA-N 0 3 168.284 2.313 10 30 AEEEHN CC[C@@H](C)[C@@H](C)N[C@@H](C)CC#N 42555562 573970226 /nfs/dbraw/zinc/97/02/26/573970226.db2.gz FKMVOVPWOFCBGP-KXUCPTDWSA-N 0 3 168.284 2.313 10 30 AEEEHN CCC[C@@H](N)c1c(F)cccc1C#N 238227645 573970481 /nfs/dbraw/zinc/97/04/81/573970481.db2.gz INYYAHWNZOQELQ-SNVBAGLBSA-N 0 3 192.237 2.497 10 30 AEEEHN C#CCC[C@H](N)c1ccc(CC)o1 127818383 573973709 /nfs/dbraw/zinc/97/37/09/573973709.db2.gz HCIHVXUQNJCKDD-JTQLQIEISA-N 0 3 177.247 2.255 10 30 AEEEHN C#CCC[C@@H](N)c1ccc(CC)o1 127818115 573974368 /nfs/dbraw/zinc/97/43/68/573974368.db2.gz HCIHVXUQNJCKDD-SNVBAGLBSA-N 0 3 177.247 2.255 10 30 AEEEHN C#CCC[C@H](N)c1sccc1OC 127825233 573977335 /nfs/dbraw/zinc/97/73/35/573977335.db2.gz XTTSKTMVZZTACS-QMMMGPOBSA-N 0 3 195.287 2.170 10 30 AEEEHN C=CC[C@@H](CC)NCC(C)(C)C#N 405214509 573980859 /nfs/dbraw/zinc/98/08/59/573980859.db2.gz GIOGSSQQYCRODR-SNVBAGLBSA-N 0 3 180.295 2.480 10 30 AEEEHN CCC1(CC)CCC(C#N)C1=O 238225793 573983091 /nfs/dbraw/zinc/98/30/91/573983091.db2.gz BZRLFTCVINRKIK-MRVPVSSYSA-N 0 3 165.236 2.295 10 30 AEEEHN N#CC1Cc2c(Cl)cccc2C1=O 104459538 573988162 /nfs/dbraw/zinc/98/81/62/573988162.db2.gz FFOQWMMGBDUORD-LURJTMIESA-N 0 3 191.617 2.219 10 30 AEEEHN CC(C)c1c(C#N)oc2c1[C@H](N)CC2 259592348 573988182 /nfs/dbraw/zinc/98/81/82/573988182.db2.gz AAZLRJPIDXIOFY-SSDOTTSWSA-N 0 3 190.246 2.221 10 30 AEEEHN N#CC1Cc2c(Cl)cccc2C1=O 104459535 573988770 /nfs/dbraw/zinc/98/87/70/573988770.db2.gz FFOQWMMGBDUORD-ZCFIWIBFSA-N 0 3 191.617 2.219 10 30 AEEEHN CC(C)(CF)N[C@H]1CCC[C@@H](C#N)C1 306387755 573988838 /nfs/dbraw/zinc/98/88/38/573988838.db2.gz UGAYZFBOXWOWOB-ZJUUUORDSA-N 0 3 198.285 2.406 10 30 AEEEHN CC(C)c1c(C#N)oc2c1[C@@H](N)CC2 259592366 573988914 /nfs/dbraw/zinc/98/89/14/573988914.db2.gz AAZLRJPIDXIOFY-ZETCQYMHSA-N 0 3 190.246 2.221 10 30 AEEEHN CC(C)(CF)N[C@@H]1CCC[C@@H](C#N)C1 306387734 573989748 /nfs/dbraw/zinc/98/97/48/573989748.db2.gz UGAYZFBOXWOWOB-NXEZZACHSA-N 0 3 198.285 2.406 10 30 AEEEHN CCN1CCC[C@@](C)(CC#N)C1 238233281 573992158 /nfs/dbraw/zinc/99/21/58/573992158.db2.gz RYCRNRKJAJCREU-JTQLQIEISA-N 0 3 166.268 2.022 10 30 AEEEHN O=CC(F)c1cc(F)ccc1F 104471601 573996220 /nfs/dbraw/zinc/99/62/20/573996220.db2.gz FCGCKSHBCMAVOM-QMMMGPOBSA-N 0 3 174.121 2.174 10 30 AEEEHN CCC[C@@H](N)c1ccc(F)cc1C#N 238235839 573998870 /nfs/dbraw/zinc/99/88/70/573998870.db2.gz NCDKPZMFHSUMRO-LLVKDONJSA-N 0 3 192.237 2.497 10 30 AEEEHN C#CCC[C@@H](N)c1cc(OC)cs1 127948180 574000015 /nfs/dbraw/zinc/00/00/15/574000015.db2.gz KTVFRQIDNMVNHM-SECBINFHSA-N 0 3 195.287 2.170 10 30 AEEEHN CCN1CCC[C@](C)(CC#N)C1 238237058 573999863 /nfs/dbraw/zinc/99/98/63/573999863.db2.gz RYCRNRKJAJCREU-SNVBAGLBSA-N 0 3 166.268 2.022 10 30 AEEEHN C=CC[C@@H](N)c1cc(F)c(F)cc1N 104493757 574010227 /nfs/dbraw/zinc/01/02/27/574010227.db2.gz NQROJQWXXNAXHD-SECBINFHSA-N 0 3 198.216 2.123 10 30 AEEEHN C=CC[C@@H](N)c1cc(C#N)ccc1F 104495978 574012647 /nfs/dbraw/zinc/01/26/47/574012647.db2.gz BEIFUCJBKPPYAP-LLVKDONJSA-N 0 3 190.221 2.273 10 30 AEEEHN C[NH2+][C@@H](C)[C@@H]([S-])c1ccccc1 111389672 574015277 /nfs/dbraw/zinc/01/52/77/574015277.db2.gz QTTCJJGIROEAEK-WCBMZHEXSA-N 0 3 181.304 2.265 10 30 AEEEHN CC[C@H](N[C@H](C)CC#N)C(C)C 42588832 574019512 /nfs/dbraw/zinc/01/95/12/574019512.db2.gz VKOMBFHCKDJCAZ-ZJUUUORDSA-N 0 3 168.284 2.313 10 30 AEEEHN C[C@H](CC#N)NC(C1CC1)C1CC1 49234959 574026304 /nfs/dbraw/zinc/02/63/04/574026304.db2.gz ZNLYPCNZVMDNGW-MRVPVSSYSA-N 0 3 178.279 2.067 10 30 AEEEHN CC[C@@H](CC#N)NC(C1CC1)C1CC1 49234939 574027208 /nfs/dbraw/zinc/02/72/08/574027208.db2.gz IMZORHPLKVSWMC-NSHDSACASA-N 0 3 192.306 2.457 10 30 AEEEHN Cc1ccc([C@H]([S-])C[NH3+])c(C)c1 259280011 574027257 /nfs/dbraw/zinc/02/72/57/574027257.db2.gz PFPIYZNCHGNASH-SNVBAGLBSA-N 0 3 181.304 2.233 10 30 AEEEHN CN[C@@H](CCC#N)c1cccs1 259286477 574030863 /nfs/dbraw/zinc/03/08/63/574030863.db2.gz INWYIPARIDJNOW-QMMMGPOBSA-N 0 3 180.276 2.312 10 30 AEEEHN CN[C@H](CCC#N)c1cccs1 259286475 574031375 /nfs/dbraw/zinc/03/13/75/574031375.db2.gz INWYIPARIDJNOW-MRVPVSSYSA-N 0 3 180.276 2.312 10 30 AEEEHN C#CCN[C@@H](CC)c1ccc(C#N)cc1 393609846 574037352 /nfs/dbraw/zinc/03/73/52/574037352.db2.gz UNBKWOJWYQVAKK-ZDUSSCGKSA-N 0 3 198.269 2.232 10 30 AEEEHN C#CCN[C@H](CC)c1ccc(C#N)cc1 393609845 574037401 /nfs/dbraw/zinc/03/74/01/574037401.db2.gz UNBKWOJWYQVAKK-CYBMUJFWSA-N 0 3 198.269 2.232 10 30 AEEEHN CN[C@@H](CS)c1cccc(F)c1 259294762 574042252 /nfs/dbraw/zinc/04/22/52/574042252.db2.gz WMMNKPGGENEHPV-VIFPVBQESA-N 0 3 185.267 2.016 10 30 AEEEHN N#CCC[C@H](N)c1ccc(F)cc1F 259294511 574042592 /nfs/dbraw/zinc/04/25/92/574042592.db2.gz HVMTVGDISAADLL-JTQLQIEISA-N 0 3 196.200 2.268 10 30 AEEEHN N#CCC[C@@H](N)c1ccc(F)cc1F 259294514 574042765 /nfs/dbraw/zinc/04/27/65/574042765.db2.gz HVMTVGDISAADLL-SNVBAGLBSA-N 0 3 196.200 2.268 10 30 AEEEHN C=CCN(CC=C)CCOCC(C)C 669688273 486731445 /nfs/dbraw/zinc/73/14/45/486731445.db2.gz AUECNDJNYXWNMI-UHFFFAOYSA-N 0 3 197.322 2.333 10 30 AEEEHN C=C1CCN(CCOCC(C)C)CC1 669689846 486731964 /nfs/dbraw/zinc/73/19/64/486731964.db2.gz FCXYJZQBLPFOEX-UHFFFAOYSA-N 0 3 197.322 2.311 10 30 AEEEHN C=CCN(CCOCC(C)C)C1CC1 669691826 486732980 /nfs/dbraw/zinc/73/29/80/486732980.db2.gz BLPNHXMYVNVWTQ-UHFFFAOYSA-N 0 3 197.322 2.309 10 30 AEEEHN CC#CCN[C@H](C)c1cccs1 51663207 486739885 /nfs/dbraw/zinc/73/98/85/486739885.db2.gz OQOMGUUJNHKJHJ-SECBINFHSA-N 0 3 179.288 2.422 10 30 AEEEHN C=CCN(CC=C)C[C@H](O)C(C)(C)C 670990308 486741996 /nfs/dbraw/zinc/74/19/96/486741996.db2.gz XCAIXFVLPJWUOG-NSHDSACASA-N 0 3 197.322 2.067 10 30 AEEEHN C=CCN(CC=C)C[C@@H](O)C(C)(C)C 670990307 486742084 /nfs/dbraw/zinc/74/20/84/486742084.db2.gz XCAIXFVLPJWUOG-LLVKDONJSA-N 0 3 197.322 2.067 10 30 AEEEHN C=CCCN1CCC[C@H]1c1cc[nH]n1 671628404 486749414 /nfs/dbraw/zinc/74/94/14/486749414.db2.gz RSXHQCIEGMHHGO-NSHDSACASA-N 0 3 191.278 2.123 10 30 AEEEHN C=CCCN1CCC[C@@H]1c1cc[nH]n1 671628403 486749774 /nfs/dbraw/zinc/74/97/74/486749774.db2.gz RSXHQCIEGMHHGO-LLVKDONJSA-N 0 3 191.278 2.123 10 30 AEEEHN C=CCOCCNCc1cccs1 53560402 486751008 /nfs/dbraw/zinc/75/10/08/486751008.db2.gz VUIGSUGTVXZCHK-UHFFFAOYSA-N 0 3 197.303 2.040 10 30 AEEEHN C=CCCCNCc1ccccn1 70591426 486785715 /nfs/dbraw/zinc/78/57/15/486785715.db2.gz HZVFQNCYMJWJOG-UHFFFAOYSA-N 0 3 176.263 2.137 10 30 AEEEHN C=CCCCNCc1ccco1 70591473 486785792 /nfs/dbraw/zinc/78/57/92/486785792.db2.gz OSGZPXXZYIOIJH-UHFFFAOYSA-N 0 3 165.236 2.335 10 30 AEEEHN C=CCN(CC=C)C[C@H]1CCCCO1 674709179 486809170 /nfs/dbraw/zinc/80/91/70/486809170.db2.gz GKERGPDEFXFFNV-GFCCVEGCSA-N 0 3 195.306 2.230 10 30 AEEEHN C=C(C)CN(C)CCc1ccccn1 674731364 486809413 /nfs/dbraw/zinc/80/94/13/486809413.db2.gz BNZWDCAIRUOVTK-UHFFFAOYSA-N 0 3 190.290 2.132 10 30 AEEEHN C=CCN(CC=C)C[C@@H]1CCCCO1 674709180 486809619 /nfs/dbraw/zinc/80/96/19/486809619.db2.gz GKERGPDEFXFFNV-LBPRGKRZSA-N 0 3 195.306 2.230 10 30 AEEEHN C=C(C)CN(C)Cc1cccn1C 675505666 486842543 /nfs/dbraw/zinc/84/25/43/486842543.db2.gz FXUFRHSZOIQUFN-UHFFFAOYSA-N 0 3 178.279 2.033 10 30 AEEEHN C=CCCCN(C)Cc1cccn1C 675506198 486842593 /nfs/dbraw/zinc/84/25/93/486842593.db2.gz UDMMAYIAJHEBQE-UHFFFAOYSA-N 0 3 192.306 2.423 10 30 AEEEHN CC#CCN(C)[C@@H]1C[C@H]1c1ccccc1 676043553 486854440 /nfs/dbraw/zinc/85/44/40/486854440.db2.gz HNAVIRJUBBZWJH-UONOGXRCSA-N 0 3 199.297 2.498 10 30 AEEEHN C=C(C)CN(C)CCOC(C)(C)C 676041997 486854538 /nfs/dbraw/zinc/85/45/38/486854538.db2.gz DLULHYWWQWMVQB-UHFFFAOYSA-N 0 3 185.311 2.309 10 30 AEEEHN CC#CCN(C)[C@H]1C[C@H]1c1ccccc1 676043551 486854853 /nfs/dbraw/zinc/85/48/53/486854853.db2.gz HNAVIRJUBBZWJH-KBPBESRZSA-N 0 3 199.297 2.498 10 30 AEEEHN CC#CCN(C)[C@H]1C[C@@H]1c1ccccc1 676043552 486855301 /nfs/dbraw/zinc/85/53/01/486855301.db2.gz HNAVIRJUBBZWJH-KGLIPLIRSA-N 0 3 199.297 2.498 10 30 AEEEHN C=C(C)CN1CC[C@H](C(F)F)C1 677736752 486895902 /nfs/dbraw/zinc/89/59/02/486895902.db2.gz YKNAJWDQXVWFMI-QMMMGPOBSA-N 0 3 175.222 2.150 10 30 AEEEHN C=C(C)CN1CC[C@@H](C(F)F)C1 677736751 486896554 /nfs/dbraw/zinc/89/65/54/486896554.db2.gz YKNAJWDQXVWFMI-MRVPVSSYSA-N 0 3 175.222 2.150 10 30 AEEEHN C=C(CC)CN1C[C@@H](C)OC[C@H]1CC 678622959 486940132 /nfs/dbraw/zinc/94/01/32/486940132.db2.gz GDQOVVWMKJDYNB-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@H](C)OC[C@@H]1CC 678622958 486940675 /nfs/dbraw/zinc/94/06/75/486940675.db2.gz GDQOVVWMKJDYNB-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@H](C)OC[C@H]1CC 678622957 486940705 /nfs/dbraw/zinc/94/07/05/486940705.db2.gz GDQOVVWMKJDYNB-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@@H](C)OC[C@@H]1CC 678622804 486940837 /nfs/dbraw/zinc/94/08/37/486940837.db2.gz GDQOVVWMKJDYNB-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@H](CC)O[C@H](C)C1 678624426 486941296 /nfs/dbraw/zinc/94/12/96/486941296.db2.gz AVXMOZWJSMDAAN-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@H](C)O[C@H](CC)C1 678624427 486941526 /nfs/dbraw/zinc/94/15/26/486941526.db2.gz AVXMOZWJSMDAAN-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@H](C)O[C@@H](CC)C1 678624428 486941898 /nfs/dbraw/zinc/94/18/98/486941898.db2.gz AVXMOZWJSMDAAN-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@@H](C)O[C@H](CC)C1 678624429 486941984 /nfs/dbraw/zinc/94/19/84/486941984.db2.gz AVXMOZWJSMDAAN-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CN(C)CCc1cccnc1 679217452 486953484 /nfs/dbraw/zinc/95/34/84/486953484.db2.gz FGFDDZNWIWGSTH-UHFFFAOYSA-N 0 3 190.290 2.132 10 30 AEEEHN C=CCCCN1CCO[C@H](C(C)C)C1 679219613 486954002 /nfs/dbraw/zinc/95/40/02/486954002.db2.gz HFSWTGHBNYDLQS-LBPRGKRZSA-N 0 3 197.322 2.309 10 30 AEEEHN C=CCCCN1CCO[C@@H](C(C)C)C1 679219612 486954321 /nfs/dbraw/zinc/95/43/21/486954321.db2.gz HFSWTGHBNYDLQS-GFCCVEGCSA-N 0 3 197.322 2.309 10 30 AEEEHN C=CCN(Cc1ccn(C)c1)C1CC1 680481316 486987259 /nfs/dbraw/zinc/98/72/59/486987259.db2.gz FLDNVKBSJVAZMB-UHFFFAOYSA-N 0 3 190.290 2.176 10 30 AEEEHN CC#CCCN1CCc2ccccc2C1 680881549 486995361 /nfs/dbraw/zinc/99/53/61/486995361.db2.gz DRCWHNRFDPDCBY-UHFFFAOYSA-N 0 3 199.297 2.458 10 30 AEEEHN C=C(C)CN(C)Cc1ccc(C)nc1 680933623 487001103 /nfs/dbraw/zinc/00/11/03/487001103.db2.gz BPEBQNKPXIIRNR-UHFFFAOYSA-N 0 3 190.290 2.398 10 30 AEEEHN C=C(C)CCN1C[C@H](C)OC[C@H]1CC 681399451 487020327 /nfs/dbraw/zinc/02/03/27/487020327.db2.gz VTXORCMXUHDHQL-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@@H](C)OC(C)(C)C1 681400905 487020357 /nfs/dbraw/zinc/02/03/57/487020357.db2.gz WHFRUYXANAGEDK-LLVKDONJSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@H](C)OC[C@@H]1CC 681399452 487020526 /nfs/dbraw/zinc/02/05/26/487020526.db2.gz VTXORCMXUHDHQL-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@H](C)OC(C)(C)C1 681400906 487020601 /nfs/dbraw/zinc/02/06/01/487020601.db2.gz WHFRUYXANAGEDK-NSHDSACASA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@@H](C)OC[C@H]1CC 681399454 487020615 /nfs/dbraw/zinc/02/06/15/487020615.db2.gz VTXORCMXUHDHQL-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@@H](C)OC[C@@H]1CC 681399449 487021272 /nfs/dbraw/zinc/02/12/72/487021272.db2.gz VTXORCMXUHDHQL-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@H](C)O[C@@H](CC)C1 681404601 487021796 /nfs/dbraw/zinc/02/17/96/487021796.db2.gz ZQEALTGGHAMYTR-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@@H](C)O[C@H](CC)C1 681404602 487021956 /nfs/dbraw/zinc/02/19/56/487021956.db2.gz ZQEALTGGHAMYTR-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@H](CC)O[C@H](C)C1 681404599 487021981 /nfs/dbraw/zinc/02/19/81/487021981.db2.gz ZQEALTGGHAMYTR-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1C[C@H](C)O[C@H](CC)C1 681404600 487022369 /nfs/dbraw/zinc/02/23/69/487022369.db2.gz ZQEALTGGHAMYTR-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CCN1CCO[C@@H](CCC)C1 681407155 487022388 /nfs/dbraw/zinc/02/23/88/487022388.db2.gz OZPRLFNMEFBNGH-LBPRGKRZSA-N 0 3 197.322 2.454 10 30 AEEEHN C=C(C)CCN1CCO[C@H](CCC)C1 681407153 487022427 /nfs/dbraw/zinc/02/24/27/487022427.db2.gz OZPRLFNMEFBNGH-GFCCVEGCSA-N 0 3 197.322 2.454 10 30 AEEEHN C=C(CC)CN1CC=C(COC)CC1 681471638 487024005 /nfs/dbraw/zinc/02/40/05/487024005.db2.gz GOJRUVOUTKVRLT-UHFFFAOYSA-N 0 3 195.306 2.231 10 30 AEEEHN C=CCN1CCOCC2(CCCC2)C1 681474963 487025845 /nfs/dbraw/zinc/02/58/45/487025845.db2.gz GQQDEFHKUMZMSX-UHFFFAOYSA-N 0 3 195.306 2.065 10 30 AEEEHN C=C(C)CCN1CCO[C@H](C2CC2)C1 681594597 487027227 /nfs/dbraw/zinc/02/72/27/487027227.db2.gz XZDSOOGTRDOKBU-LBPRGKRZSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CCN1CCO[C@@H](C2CC2)C1 681594595 487027543 /nfs/dbraw/zinc/02/75/43/487027543.db2.gz XZDSOOGTRDOKBU-GFCCVEGCSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CCCCN1CCO[C@H](C2CC2)C1 681594847 487027558 /nfs/dbraw/zinc/02/75/58/487027558.db2.gz XNEJPRKNAFXYBJ-LBPRGKRZSA-N 0 3 195.306 2.063 10 30 AEEEHN 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197.322 2.500 10 30 AEEEHN C#CCN1CC[C@](C)(c2ccccc2)C1 756020962 582790728 /nfs/dbraw/zinc/79/07/28/582790728.db2.gz ZSMBMCBEYAYIDG-AWEZNQCLSA-N 0 3 199.297 2.283 10 30 AEEEHN C#CCN1CC[C@@](C)(c2ccccc2)C1 756020965 582790763 /nfs/dbraw/zinc/79/07/63/582790763.db2.gz ZSMBMCBEYAYIDG-CQSZACIVSA-N 0 3 199.297 2.283 10 30 AEEEHN C#CCN(CCCC#N)C1CCCC1 756910925 582793336 /nfs/dbraw/zinc/79/33/36/582793336.db2.gz HNOCDWIUQSNEQT-UHFFFAOYSA-N 0 3 190.290 2.168 10 30 AEEEHN C=CCN(C)C[C@@H](O)CCCCCC 759452241 582802937 /nfs/dbraw/zinc/80/29/37/582802937.db2.gz JWQSCFWPWVLPAE-LBPRGKRZSA-N 0 3 199.338 2.436 10 30 AEEEHN C#CCCN1CCc2cccc(C)c2C1 759877939 582804906 /nfs/dbraw/zinc/80/49/06/582804906.db2.gz FEZSHPHJWLNOGZ-UHFFFAOYSA-N 0 3 199.297 2.376 10 30 AEEEHN C#CCN(C)[C@@H](C)c1ccc(F)cc1 765807840 582826399 /nfs/dbraw/zinc/82/63/99/582826399.db2.gz FXYRSWDPGJSCBC-JTQLQIEISA-N 0 3 191.249 2.452 10 30 AEEEHN C#CCN(C)[C@H](C)c1ccc(F)cc1 765807843 582826853 /nfs/dbraw/zinc/82/68/53/582826853.db2.gz 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189.258 2.125 10 30 AEEEHN C#C[C@H]1CCCN(Cc2ccoc2)C1 848923206 583171076 /nfs/dbraw/zinc/17/10/76/583171076.db2.gz BICYEKIAHXGOBL-NSHDSACASA-N 0 3 189.258 2.125 10 30 AEEEHN C#C[C@@H]1CCCN(Cc2ccoc2)C1 848923205 583171113 /nfs/dbraw/zinc/17/11/13/583171113.db2.gz BICYEKIAHXGOBL-LLVKDONJSA-N 0 3 189.258 2.125 10 30 AEEEHN C#C[C@@H]1CCCN(Cc2ccco2)C1 848924289 583171275 /nfs/dbraw/zinc/17/12/75/583171275.db2.gz ZZLHORFVCOARTQ-LLVKDONJSA-N 0 3 189.258 2.125 10 30 AEEEHN CCCCCCCCOC1CNC1 108978977 583183890 /nfs/dbraw/zinc/18/38/90/583183890.db2.gz ISXRSGVKGNGMKE-UHFFFAOYSA-N 0 3 185.311 2.335 10 30 AEEEHN C#CCN(CC#CC)CCC1CCC1 851783304 583192780 /nfs/dbraw/zinc/19/27/80/583192780.db2.gz ACCIYRSJLHPQQD-UHFFFAOYSA-N 0 3 189.302 2.135 10 30 AEEEHN C#CCN(CC#C)CCCC1CCC1 851794196 583194894 /nfs/dbraw/zinc/19/48/94/583194894.db2.gz PXFIWVGOMZJGDZ-UHFFFAOYSA-N 0 3 189.302 2.135 10 30 AEEEHN C#CCN(CCC=C(C)C)C1CC1 851937907 583200661 /nfs/dbraw/zinc/20/06/61/583200661.db2.gz DTWIXMQXJQQOHL-UHFFFAOYSA-N 0 3 177.291 2.440 10 30 AEEEHN C#CCN(CCC1CCC1)C1CC1 851937689 583200788 /nfs/dbraw/zinc/20/07/88/583200788.db2.gz ATMZXSRJSQVBKU-UHFFFAOYSA-N 0 3 177.291 2.274 10 30 AEEEHN C=CCCN(C)Cc1cccc(F)n1 851973552 583201744 /nfs/dbraw/zinc/20/17/44/583201744.db2.gz FAPWCSYRMRLUFY-UHFFFAOYSA-N 0 3 194.253 2.229 10 30 AEEEHN C#CCNC(C)(C)c1cccc(C#N)c1 852354987 583205647 /nfs/dbraw/zinc/20/56/47/583205647.db2.gz YWHGGINPELRNRZ-UHFFFAOYSA-N 0 3 198.269 2.016 10 30 AEEEHN C[C@@]1(C#N)CCN(C[Si](C)(C)C)C1 852684584 583209959 /nfs/dbraw/zinc/20/99/59/583209959.db2.gz KBYDYRNLXSKUGM-JTQLQIEISA-N 0 3 196.370 2.099 10 30 AEEEHN C[C@]1(C#N)CCN(C[Si](C)(C)C)C1 852684585 583210360 /nfs/dbraw/zinc/21/03/60/583210360.db2.gz KBYDYRNLXSKUGM-SNVBAGLBSA-N 0 3 196.370 2.099 10 30 AEEEHN C=C1C[C@@H]2CC[C@H](C1)N2CCF 852685388 583210408 /nfs/dbraw/zinc/21/04/08/583210408.db2.gz GYMWPGQITXQDKI-AOOOYVTPSA-N 0 3 169.243 2.139 10 30 AEEEHN C#CCN1CC2CC1(c1ccccc1)C2 852761314 583210586 /nfs/dbraw/zinc/21/05/86/583210586.db2.gz KATYBGLFXJIZRU-UHFFFAOYSA-N 0 3 197.281 2.241 10 30 AEEEHN C=C(C)CCNCc1ccnc(F)c1 858173142 583268785 /nfs/dbraw/zinc/26/87/85/583268785.db2.gz SHASICNKHSVPHN-UHFFFAOYSA-N 0 3 194.253 2.277 10 30 AEEEHN C=C(CC)CNCc1ccnc(F)c1 858173814 583268937 /nfs/dbraw/zinc/26/89/37/583268937.db2.gz JZGQKRXRCJAGTG-UHFFFAOYSA-N 0 3 194.253 2.277 10 30 AEEEHN C=CCCN(C)Cc1ccnc(F)c1 859274483 583278411 /nfs/dbraw/zinc/27/84/11/583278411.db2.gz RVVRREMOJCWURS-UHFFFAOYSA-N 0 3 194.253 2.229 10 30 AEEEHN C#CCN1CCC[C@@H](C/C=C\C)C1 860179975 583282463 /nfs/dbraw/zinc/28/24/63/583282463.db2.gz UWALJXFKAYNOHI-KTLBGCOUSA-N 0 3 177.291 2.298 10 30 AEEEHN C#CCN1CCC[C@@H](C/C=C/C)C1 860179977 583283281 /nfs/dbraw/zinc/28/32/81/583283281.db2.gz UWALJXFKAYNOHI-OGOUPESXSA-N 0 3 177.291 2.298 10 30 AEEEHN C#CCN1CCC[C@H](C/C=C/C)C1 860179980 583283476 /nfs/dbraw/zinc/28/34/76/583283476.db2.gz UWALJXFKAYNOHI-PYEVWLCESA-N 0 3 177.291 2.298 10 30 AEEEHN C#CCN1CCC[C@H](C/C=C\C)C1 860179936 583283932 /nfs/dbraw/zinc/28/39/32/583283932.db2.gz UWALJXFKAYNOHI-FHMRSRPSSA-N 0 3 177.291 2.298 10 30 AEEEHN C#CCN(CC)C[C@@]1(C)CCCS1 862233866 583297046 /nfs/dbraw/zinc/29/70/46/583297046.db2.gz WAGJBOMFTKKLFT-LLVKDONJSA-N 0 3 197.347 2.227 10 30 AEEEHN C#CCN(CC)C[C@]1(C)CCCS1 862233867 583297149 /nfs/dbraw/zinc/29/71/49/583297149.db2.gz WAGJBOMFTKKLFT-NSHDSACASA-N 0 3 197.347 2.227 10 30 AEEEHN C#CCN(C)CCCC(C)(C)C 202919522 583297249 /nfs/dbraw/zinc/29/72/49/583297249.db2.gz HUZGDIHCQPXZNU-UHFFFAOYSA-N 0 3 167.296 2.378 10 30 AEEEHN C=C[C@H](C)NCc1ccnc(F)c1C 862284838 583298254 /nfs/dbraw/zinc/29/82/54/583298254.db2.gz MVWNOFRCIKNRIH-QMMMGPOBSA-N 0 3 194.253 2.193 10 30 AEEEHN C=C[C@@H](C)NCc1ccnc(F)c1C 862284836 583298596 /nfs/dbraw/zinc/29/85/96/583298596.db2.gz MVWNOFRCIKNRIH-MRVPVSSYSA-N 0 3 194.253 2.193 10 30 AEEEHN C#CC[C@H]1CCN(Cc2ccco2)C1 862443042 583299084 /nfs/dbraw/zinc/29/90/84/583299084.db2.gz KUYGRWYHGDWWRH-NSHDSACASA-N 0 3 189.258 2.125 10 30 AEEEHN C#CC[C@@H]1CCN(Cc2ccoc2)C1 862444852 583299211 /nfs/dbraw/zinc/29/92/11/583299211.db2.gz HRDQHVQWFYLPOY-LLVKDONJSA-N 0 3 189.258 2.125 10 30 AEEEHN C#CC[C@H]1CCN(Cc2ccoc2)C1 862444853 583299292 /nfs/dbraw/zinc/29/92/92/583299292.db2.gz HRDQHVQWFYLPOY-NSHDSACASA-N 0 3 189.258 2.125 10 30 AEEEHN C#CC[C@@H]1CCN(Cc2ccco2)C1 862443041 583299579 /nfs/dbraw/zinc/29/95/79/583299579.db2.gz KUYGRWYHGDWWRH-LLVKDONJSA-N 0 3 189.258 2.125 10 30 AEEEHN CC(C)ON=C1CCN(C)C(C)(C)C1 863116586 583304041 /nfs/dbraw/zinc/30/40/41/583304041.db2.gz UKBYNKKGLWMMQJ-UHFFFAOYSA-N 0 3 198.310 2.272 10 30 AEEEHN CCCON=C1CCN(C)C(C)(C)C1 863122923 583304778 /nfs/dbraw/zinc/30/47/78/583304778.db2.gz AGXBZZQUXSRDCE-UHFFFAOYSA-N 0 3 198.310 2.273 10 30 AEEEHN N#CCCCCNCc1ccoc1 122460178 583341276 /nfs/dbraw/zinc/34/12/76/583341276.db2.gz LZXKCWMAFKFIPN-UHFFFAOYSA-N 0 3 178.235 2.063 10 30 AEEEHN C=CC(C)(C)CCCNCCC#N 872243731 583360896 /nfs/dbraw/zinc/36/08/96/583360896.db2.gz UHQIGWUTAPJUOK-UHFFFAOYSA-N 0 3 180.295 2.482 10 30 AEEEHN N#CCCNCCC[C@H]1C=CCC1 872248166 583360978 /nfs/dbraw/zinc/36/09/78/583360978.db2.gz QWMPEEPGYGAKPW-NSHDSACASA-N 0 3 178.279 2.236 10 30 AEEEHN N#CCCNCCC[C@@H]1C=CCC1 872248161 583361387 /nfs/dbraw/zinc/36/13/87/583361387.db2.gz QWMPEEPGYGAKPW-LLVKDONJSA-N 0 3 178.279 2.236 10 30 AEEEHN C=CC[C@@H](C)NCc1ccoc1 124264081 583370145 /nfs/dbraw/zinc/37/01/45/583370145.db2.gz QRHVTMLHGTZIEJ-SECBINFHSA-N 0 3 165.236 2.334 10 30 AEEEHN C=CC[C@H](C)NCc1ccoc1 124263879 583370240 /nfs/dbraw/zinc/37/02/40/583370240.db2.gz QRHVTMLHGTZIEJ-VIFPVBQESA-N 0 3 165.236 2.334 10 30 AEEEHN C[C@@H](CC#N)NCCCC1CC1 124864528 583380368 /nfs/dbraw/zinc/38/03/68/583380368.db2.gz QZZIRYDZMZJYOY-VIFPVBQESA-N 0 3 166.268 2.068 10 30 AEEEHN C[C@H](CC#N)NCCCC1CC1 124864768 583380949 /nfs/dbraw/zinc/38/09/49/583380949.db2.gz QZZIRYDZMZJYOY-SECBINFHSA-N 0 3 166.268 2.068 10 30 AEEEHN C=C(Cl)CNC1CCC(C#N)CC1 877149732 583392128 /nfs/dbraw/zinc/39/21/28/583392128.db2.gz RFBLZDOYWJKXLW-UHFFFAOYSA-N 0 3 198.697 2.411 10 30 AEEEHN C=C(Cl)CN[C@@H](C)[C@@H]1CC1(F)F 877150177 583392644 /nfs/dbraw/zinc/39/26/44/583392644.db2.gz ZFJQWEUMAOIRGM-BQBZGAKWSA-N 0 3 195.640 2.372 10 30 AEEEHN C=C(Cl)CN[C@H](C)[C@H]1CC1(F)F 877150179 583392647 /nfs/dbraw/zinc/39/26/47/583392647.db2.gz ZFJQWEUMAOIRGM-RNFRBKRXSA-N 0 3 195.640 2.372 10 30 AEEEHN C=C(Cl)CN[C@@H](C)[C@H]1CC1(F)F 877150178 583392722 /nfs/dbraw/zinc/39/27/22/583392722.db2.gz ZFJQWEUMAOIRGM-NKWVEPMBSA-N 0 3 195.640 2.372 10 30 AEEEHN C=C(Cl)CN[C@H](C)[C@@H]1CC1(F)F 877150180 583392845 /nfs/dbraw/zinc/39/28/45/583392845.db2.gz ZFJQWEUMAOIRGM-RQJHMYQMSA-N 0 3 195.640 2.372 10 30 AEEEHN C#C[C@@H](C)N(C)CCC(C)(C)SC 877479935 583393791 /nfs/dbraw/zinc/39/37/91/583393791.db2.gz HQYCLQYYVBPNGM-SNVBAGLBSA-N 0 3 199.363 2.472 10 30 AEEEHN C#C[C@H](CC)N[C@H](C)[C@H]1CC1(F)F 877513190 583394007 /nfs/dbraw/zinc/39/40/07/583394007.db2.gz NOMNGOIZHUFFIK-IWSPIJDZSA-N 0 3 187.233 2.032 10 30 AEEEHN C#C[C@H](CC)N[C@@H](C)[C@@H]1CC1(F)F 877513191 583394085 /nfs/dbraw/zinc/39/40/85/583394085.db2.gz NOMNGOIZHUFFIK-YIZRAAEISA-N 0 3 187.233 2.032 10 30 AEEEHN C#C[C@H](CC)N[C@@H](C)[C@H]1CC1(F)F 877513188 583394447 /nfs/dbraw/zinc/39/44/47/583394447.db2.gz NOMNGOIZHUFFIK-DJLDLDEBSA-N 0 3 187.233 2.032 10 30 AEEEHN C#C[C@H](C)N(C)CCC(C)(C)SC 877479933 583394738 /nfs/dbraw/zinc/39/47/38/583394738.db2.gz HQYCLQYYVBPNGM-JTQLQIEISA-N 0 3 199.363 2.472 10 30 AEEEHN C#C[C@H](CC)N[C@H](C)[C@@H]1CC1(F)F 877513189 583394565 /nfs/dbraw/zinc/39/45/65/583394565.db2.gz NOMNGOIZHUFFIK-HLTSFMKQSA-N 0 3 187.233 2.032 10 30 AEEEHN CC1(CN2CC(CC#N)C2)CCCC1 877624545 583396219 /nfs/dbraw/zinc/39/62/19/583396219.db2.gz DTQOECIFRANBTM-UHFFFAOYSA-N 0 3 192.306 2.412 10 30 AEEEHN C=CC[C@@H](C)N1CCOC(C)(C)C1 877898129 583398857 /nfs/dbraw/zinc/39/88/57/583398857.db2.gz VMUOVNLNOVQLFD-SNVBAGLBSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CC[C@H](C)N1CCOC(C)(C)C1 877898128 583399069 /nfs/dbraw/zinc/39/90/69/583399069.db2.gz VMUOVNLNOVQLFD-JTQLQIEISA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCN(CC=C)CC[C@H](O)C(C)C 877957814 583400548 /nfs/dbraw/zinc/40/05/48/583400548.db2.gz DFFGSNXXOBXADM-LBPRGKRZSA-N 0 3 197.322 2.067 10 30 AEEEHN C=CC[C@H](C)N1CCO[C@H](CC)C1 877957431 583400626 /nfs/dbraw/zinc/40/06/26/583400626.db2.gz JYJWSYKNQFECGU-WDEREUQCSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CC[C@@H](C)N1CCO[C@@H](CC)C1 877957329 583400830 /nfs/dbraw/zinc/40/08/30/583400830.db2.gz JYJWSYKNQFECGU-MNOVXSKESA-N 0 3 183.295 2.062 10 30 AEEEHN C=CC[C@@H](C)N1CCO[C@H](CC)C1 877957328 583400849 /nfs/dbraw/zinc/40/08/49/583400849.db2.gz JYJWSYKNQFECGU-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCN(CC=C)CC[C@@H](O)C(C)C 877957813 583400992 /nfs/dbraw/zinc/40/09/92/583400992.db2.gz DFFGSNXXOBXADM-GFCCVEGCSA-N 0 3 197.322 2.067 10 30 AEEEHN C=CC[C@H](C)N1CCO[C@@H](CC)C1 877957330 583401199 /nfs/dbraw/zinc/40/11/99/583401199.db2.gz JYJWSYKNQFECGU-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C1CCN(CC[C@H](O)C(C)C)CC1 878087487 583404025 /nfs/dbraw/zinc/40/40/25/583404025.db2.gz OSNYCRQVAWPVED-LBPRGKRZSA-N 0 3 197.322 2.045 10 30 AEEEHN C=C1CCN(CC[C@@H](O)C(C)C)CC1 878087486 583404536 /nfs/dbraw/zinc/40/45/36/583404536.db2.gz OSNYCRQVAWPVED-GFCCVEGCSA-N 0 3 197.322 2.045 10 30 AEEEHN C=CC[C@H](C)N1C[C@@H](C)O[C@H](CC)C1 878094790 583404925 /nfs/dbraw/zinc/40/49/25/583404925.db2.gz RNRMASKHDOGOIG-QJPTWQEYSA-N 0 3 197.322 2.450 10 30 AEEEHN C=CC[C@H](C)N1C[C@H](C)O[C@H](CC)C1 878094791 583405125 /nfs/dbraw/zinc/40/51/25/583405125.db2.gz RNRMASKHDOGOIG-SDDRHHMPSA-N 0 3 197.322 2.450 10 30 AEEEHN C=CC[C@@H](C)N1CCO[C@@H](C(C)C)C1 878384317 583409389 /nfs/dbraw/zinc/40/93/89/583409389.db2.gz BNRLWIYVIKGQHR-VXGBXAGGSA-N 0 3 197.322 2.308 10 30 AEEEHN C=CC[C@H](C)N1C[C@H](CC)O[C@H](C)C1 878094793 583405666 /nfs/dbraw/zinc/40/56/66/583405666.db2.gz RNRMASKHDOGOIG-TUAOUCFPSA-N 0 3 197.322 2.450 10 30 AEEEHN C=CC[C@H](C)N1C[C@H](C)O[C@@H](CC)C1 878094792 583405697 /nfs/dbraw/zinc/40/56/97/583405697.db2.gz RNRMASKHDOGOIG-SRVKXCTJSA-N 0 3 197.322 2.450 10 30 AEEEHN C=CC[C@H](C)N1CCO[C@H](CCC)C1 878306440 583408227 /nfs/dbraw/zinc/40/82/27/583408227.db2.gz AKPUAIOXFXBOSF-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CC[C@H](C)N1CCO[C@@H](CCC)C1 878306441 583408588 /nfs/dbraw/zinc/40/85/88/583408588.db2.gz AKPUAIOXFXBOSF-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CC[C@H](C)N(C)Cc1cccnc1 878298855 583408873 /nfs/dbraw/zinc/40/88/73/583408873.db2.gz NRHBLJBGXSNDRX-NSHDSACASA-N 0 3 190.290 2.478 10 30 AEEEHN C=CC[C@@H](C)N1CCO[C@H](CCC)C1 878306442 583409006 /nfs/dbraw/zinc/40/90/06/583409006.db2.gz AKPUAIOXFXBOSF-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CC[C@@H](C)N(C)Cc1cccnc1 878298854 583409033 /nfs/dbraw/zinc/40/90/33/583409033.db2.gz NRHBLJBGXSNDRX-LLVKDONJSA-N 0 3 190.290 2.478 10 30 AEEEHN C=CC[C@@H](C)N1CCO[C@@H](CCC)C1 878306439 583409051 /nfs/dbraw/zinc/40/90/51/583409051.db2.gz AKPUAIOXFXBOSF-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCN(CC[C@@H](O)C(C)C)C1CC1 878341854 583409335 /nfs/dbraw/zinc/40/93/35/583409335.db2.gz JBACQSVIKPDYLZ-GFCCVEGCSA-N 0 3 197.322 2.044 10 30 AEEEHN C=CC[C@H](C)N1CCO[C@H](C(C)C)C1 878384316 583409380 /nfs/dbraw/zinc/40/93/80/583409380.db2.gz BNRLWIYVIKGQHR-RYUDHWBXSA-N 0 3 197.322 2.308 10 30 AEEEHN C=CC[C@@H](C)N1CCO[C@H](C(C)C)C1 878384314 583409757 /nfs/dbraw/zinc/40/97/57/583409757.db2.gz BNRLWIYVIKGQHR-NEPJUHHUSA-N 0 3 197.322 2.308 10 30 AEEEHN C=CCN(CC[C@H](O)C(C)C)C1CC1 878341855 583409882 /nfs/dbraw/zinc/40/98/82/583409882.db2.gz JBACQSVIKPDYLZ-LBPRGKRZSA-N 0 3 197.322 2.044 10 30 AEEEHN C=CC[C@H](C)N1CCO[C@@H](C(C)C)C1 878384315 583409909 /nfs/dbraw/zinc/40/99/09/583409909.db2.gz BNRLWIYVIKGQHR-NWDGAFQWSA-N 0 3 197.322 2.308 10 30 AEEEHN C=CC[C@H](C)N1CCOC2(CCC2)C1 878330728 583410006 /nfs/dbraw/zinc/41/00/06/583410006.db2.gz KIIXIPGHCUKMGM-NSHDSACASA-N 0 3 195.306 2.206 10 30 AEEEHN C=CC[C@@H](C)N1CCOC2(CCC2)C1 878330727 583410160 /nfs/dbraw/zinc/41/01/60/583410160.db2.gz KIIXIPGHCUKMGM-LLVKDONJSA-N 0 3 195.306 2.206 10 30 AEEEHN C=CCN(C)C[C@@H]1CC2(CCC2)CO1 878461576 583410358 /nfs/dbraw/zinc/41/03/58/583410358.db2.gz MSIULRPPCYEAAV-NSHDSACASA-N 0 3 195.306 2.063 10 30 AEEEHN C#CCN(CC/C=C/C=C)C1CC1 878434011 583410368 /nfs/dbraw/zinc/41/03/68/583410368.db2.gz FYOSPLXSHNTDOT-AATRIKPKSA-N 0 3 175.275 2.216 10 30 AEEEHN C=CC[C@@H](C)N1CCO[C@](C)(CC)C1 878484126 583410375 /nfs/dbraw/zinc/41/03/75/583410375.db2.gz KLWVTZPDIHHPFX-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCN(C)C[C@H]1CCC(C)(C)CO1 878461335 583410407 /nfs/dbraw/zinc/41/04/07/583410407.db2.gz KYDOBSMLRSXXGQ-LLVKDONJSA-N 0 3 197.322 2.309 10 30 AEEEHN C=CC[C@H](C)N1CCO[C@](C)(CC)C1 878484124 583410446 /nfs/dbraw/zinc/41/04/46/583410446.db2.gz KLWVTZPDIHHPFX-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCN(C)C[C@H]1CCC2(CCC2)O1 878461382 583410483 /nfs/dbraw/zinc/41/04/83/583410483.db2.gz LYLWLUIIQGOTNE-LLVKDONJSA-N 0 3 195.306 2.206 10 30 AEEEHN C=CCN(C)C[C@H]1CCCC(C)(C)O1 878461081 583410539 /nfs/dbraw/zinc/41/05/39/583410539.db2.gz HFHHXQWVDUVNMU-LLVKDONJSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCN(C)C[C@@H]1CCC2(CCC2)O1 878461383 583410562 /nfs/dbraw/zinc/41/05/62/583410562.db2.gz LYLWLUIIQGOTNE-NSHDSACASA-N 0 3 195.306 2.206 10 30 AEEEHN C=CCN(C)C[C@@H]1CCCC(C)(C)O1 878461082 583410642 /nfs/dbraw/zinc/41/06/42/583410642.db2.gz HFHHXQWVDUVNMU-NSHDSACASA-N 0 3 197.322 2.452 10 30 AEEEHN C=CC[C@H](C)N1CCO[C@@](C)(CC)C1 878484125 583410715 /nfs/dbraw/zinc/41/07/15/583410715.db2.gz KLWVTZPDIHHPFX-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCN(C)C[C@@H]1C[C@@H]2CCC[C@H]2O1 878460613 583410808 /nfs/dbraw/zinc/41/08/08/583410808.db2.gz BGSLKLKTEIHCFI-SDDRHHMPSA-N 0 3 195.306 2.062 10 30 AEEEHN C=CCN(C)C[C@@H]1C[C@H]2CCC[C@H]2O1 878460612 583410851 /nfs/dbraw/zinc/41/08/51/583410851.db2.gz BGSLKLKTEIHCFI-GRYCIOLGSA-N 0 3 195.306 2.062 10 30 AEEEHN C=CCN(C)C[C@H]1CC2(CCC2)CO1 878461575 583410856 /nfs/dbraw/zinc/41/08/56/583410856.db2.gz MSIULRPPCYEAAV-LLVKDONJSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CCN(C)C[C@@H]1C[C@H]2CCC[C@@H]2O1 878460615 583410866 /nfs/dbraw/zinc/41/08/66/583410866.db2.gz BGSLKLKTEIHCFI-WOPDTQHZSA-N 0 3 195.306 2.062 10 30 AEEEHN C=CCN(C)C[C@@H]1CCC(C)(C)CO1 878461337 583410871 /nfs/dbraw/zinc/41/08/71/583410871.db2.gz KYDOBSMLRSXXGQ-NSHDSACASA-N 0 3 197.322 2.309 10 30 AEEEHN C=CC[C@@H](C)N1CCO[C@@](C)(CC)C1 878484123 583411032 /nfs/dbraw/zinc/41/10/32/583411032.db2.gz KLWVTZPDIHHPFX-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C#CCN(CC/C=C\C=C)C1CC1 878434014 583411224 /nfs/dbraw/zinc/41/12/24/583411224.db2.gz FYOSPLXSHNTDOT-WAYWQWQTSA-N 0 3 175.275 2.216 10 30 AEEEHN C=CCN(C)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 878460614 583411248 /nfs/dbraw/zinc/41/12/48/583411248.db2.gz BGSLKLKTEIHCFI-SRVKXCTJSA-N 0 3 195.306 2.062 10 30 AEEEHN C#CCCCCCN(CC#C)C1CC1 878433767 583411273 /nfs/dbraw/zinc/41/12/73/583411273.db2.gz APORXWDQVIGCCO-UHFFFAOYSA-N 0 3 189.302 2.278 10 30 AEEEHN C#CCN(C)CCCSC(C)(C)C 878500404 583412177 /nfs/dbraw/zinc/41/21/77/583412177.db2.gz FNAHAMHKERSLEU-UHFFFAOYSA-N 0 3 199.363 2.473 10 30 AEEEHN C=CC[C@H](C)N(C)CC(C)(C)C#N 878651156 583412707 /nfs/dbraw/zinc/41/27/07/583412707.db2.gz VMRWXDUVTXOFIZ-JTQLQIEISA-N 0 3 180.295 2.433 10 30 AEEEHN C=CC[C@@H](C)N(C)CC(C)(C)C#N 878651157 583412846 /nfs/dbraw/zinc/41/28/46/583412846.db2.gz VMRWXDUVTXOFIZ-SNVBAGLBSA-N 0 3 180.295 2.433 10 30 AEEEHN C=CC[C@@H](C)N(C)Cc1ccccn1 878668088 583413381 /nfs/dbraw/zinc/41/33/81/583413381.db2.gz KMSBAIXMPYGAGP-LLVKDONJSA-N 0 3 190.290 2.478 10 30 AEEEHN C=CC[C@H](C)N(C)Cc1ccccn1 878668089 583413435 /nfs/dbraw/zinc/41/34/35/583413435.db2.gz KMSBAIXMPYGAGP-NSHDSACASA-N 0 3 190.290 2.478 10 30 AEEEHN C=CCCN1CCC=C(Cl)C1 878790055 583414234 /nfs/dbraw/zinc/41/42/34/583414234.db2.gz CHODATCEPVTOIL-UHFFFAOYSA-N 0 3 171.671 2.391 10 30 AEEEHN C#CCN(CCCC=C)C1CSC1 878913982 583415266 /nfs/dbraw/zinc/41/52/66/583415266.db2.gz IPDLVAWFQHICCM-UHFFFAOYSA-N 0 3 195.331 2.003 10 30 AEEEHN C#CCN(CCC(=C)C)C1CSC1 878910347 583415700 /nfs/dbraw/zinc/41/57/00/583415700.db2.gz LVSOGXBAMUQDTE-UHFFFAOYSA-N 0 3 195.331 2.003 10 30 AEEEHN C=CC[C@@H](C)N1C[C@@H](C)C(=O)[C@H](C)C1 878919638 583416019 /nfs/dbraw/zinc/41/60/19/583416019.db2.gz OEUOQNPRWSMFHM-GMTAPVOTSA-N 0 3 195.306 2.108 10 30 AEEEHN C=CC[C@H](C)N(C)Cc1c[nH]nc1C 879188998 583417064 /nfs/dbraw/zinc/41/70/64/583417064.db2.gz WDMBGGRECBQAQV-VIFPVBQESA-N 0 3 193.294 2.115 10 30 AEEEHN C=CC[C@@H](C)N(C)Cc1c[nH]nc1C 879188997 583417534 /nfs/dbraw/zinc/41/75/34/583417534.db2.gz WDMBGGRECBQAQV-SECBINFHSA-N 0 3 193.294 2.115 10 30 AEEEHN C#CCCCN(C)[C@H]1CCC[C@@H]1C#N 879311675 583417793 /nfs/dbraw/zinc/41/77/93/583417793.db2.gz SMLDUGAQEFHYLB-NEPJUHHUSA-N 0 3 190.290 2.024 10 30 AEEEHN C#CCCCN(C)[C@@H]1CCC[C@@H]1C#N 879311678 583417812 /nfs/dbraw/zinc/41/78/12/583417812.db2.gz SMLDUGAQEFHYLB-VXGBXAGGSA-N 0 3 190.290 2.024 10 30 AEEEHN C#CCCCN(C)[C@@H]1CCC[C@H]1C#N 879311676 583417776 /nfs/dbraw/zinc/41/77/76/583417776.db2.gz SMLDUGAQEFHYLB-NWDGAFQWSA-N 0 3 190.290 2.024 10 30 AEEEHN C#CCCCN(C)[C@H]1CCC[C@H]1C#N 879311677 583418165 /nfs/dbraw/zinc/41/81/65/583418165.db2.gz SMLDUGAQEFHYLB-RYUDHWBXSA-N 0 3 190.290 2.024 10 30 AEEEHN C=CCN1CC[C@](C)(C(F)(F)F)C1 879999284 583424693 /nfs/dbraw/zinc/42/46/93/583424693.db2.gz JGVFNHOEQAYJAR-QMMMGPOBSA-N 0 3 193.212 2.447 10 30 AEEEHN C=CCN1CC[C@@](C)(C(F)(F)F)C1 879999283 583424938 /nfs/dbraw/zinc/42/49/38/583424938.db2.gz JGVFNHOEQAYJAR-MRVPVSSYSA-N 0 3 193.212 2.447 10 30 AEEEHN CCC#C[C@H](C)N1CCC(F)CC1 880239718 583427861 /nfs/dbraw/zinc/42/78/61/583427861.db2.gz FLBZEGDIUQCBQN-JTQLQIEISA-N 0 3 183.270 2.222 10 30 AEEEHN CCC#C[C@@H](C)N1CCC(F)CC1 880239719 583428652 /nfs/dbraw/zinc/42/86/52/583428652.db2.gz FLBZEGDIUQCBQN-SNVBAGLBSA-N 0 3 183.270 2.222 10 30 AEEEHN C=CCN1CC[C@H](c2nccs2)C1 880315077 583430841 /nfs/dbraw/zinc/43/08/41/583430841.db2.gz WEMBYEAMDUUJBZ-VIFPVBQESA-N 0 3 194.303 2.118 10 30 AEEEHN C=CCN1CC[C@@H](c2nccs2)C1 880315076 583430987 /nfs/dbraw/zinc/43/09/87/583430987.db2.gz WEMBYEAMDUUJBZ-SECBINFHSA-N 0 3 194.303 2.118 10 30 AEEEHN C=CC[C@H](C)SCCN(C)C 882138420 583449672 /nfs/dbraw/zinc/44/96/72/583449672.db2.gz HRMFYUGLZALKEW-VIFPVBQESA-N 0 3 173.325 2.246 10 30 AEEEHN C=CC[C@@H](C)SCCN(C)C 882138419 583449730 /nfs/dbraw/zinc/44/97/30/583449730.db2.gz HRMFYUGLZALKEW-SECBINFHSA-N 0 3 173.325 2.246 10 30 AEEEHN C=CCCNCc1nc(C(C)C)c[nH]1 883166913 583463781 /nfs/dbraw/zinc/46/37/81/583463781.db2.gz LMRQFAVYCBMQQY-UHFFFAOYSA-N 0 3 193.294 2.199 10 30 AEEEHN C#CC1(NCc2cc[nH]c2)CCCC1 883362631 583464333 /nfs/dbraw/zinc/46/43/33/583464333.db2.gz JLKHSJIOYHSUSQ-UHFFFAOYSA-N 0 3 188.274 2.050 10 30 AEEEHN C#CCN(C)C[C@@H](C)c1ccccc1 28526145 583467931 /nfs/dbraw/zinc/46/79/31/583467931.db2.gz DXSUNCSOGGXDPZ-GFCCVEGCSA-N 0 3 187.286 2.355 10 30 AEEEHN C#C[C@H](C)NCc1ccc(C)cc1 135163867 583481543 /nfs/dbraw/zinc/48/15/43/583481543.db2.gz FXYUCLGPFXPTGU-NSHDSACASA-N 0 3 173.259 2.106 10 30 AEEEHN C#C[C@@H](C)NCc1ccccc1C 135167376 583481656 /nfs/dbraw/zinc/48/16/56/583481656.db2.gz BRJSHJXFFHWKFV-LLVKDONJSA-N 0 3 173.259 2.106 10 30 AEEEHN C#C[C@@H](C)NCc1ccc(C)cc1 135163886 583481675 /nfs/dbraw/zinc/48/16/75/583481675.db2.gz FXYUCLGPFXPTGU-LLVKDONJSA-N 0 3 173.259 2.106 10 30 AEEEHN C#C[C@H](C)NCc1ccccc1C 135167356 583481761 /nfs/dbraw/zinc/48/17/61/583481761.db2.gz BRJSHJXFFHWKFV-NSHDSACASA-N 0 3 173.259 2.106 10 30 AEEEHN C=C(C)CCNCc1[nH]nc(C)c1C 886132491 583492439 /nfs/dbraw/zinc/49/24/39/583492439.db2.gz ZRISTZNTWAREHG-UHFFFAOYSA-N 0 3 193.294 2.082 10 30 AEEEHN C=CCN(C)C[C@@H]1CC[C@@H](C2CC2)O1 886144831 583492598 /nfs/dbraw/zinc/49/25/98/583492598.db2.gz ICHGHEWTWJGCAW-RYUDHWBXSA-N 0 3 195.306 2.062 10 30 AEEEHN C=CCN(C)C[C@H]1CC[C@@H](C2CC2)O1 886144829 583492617 /nfs/dbraw/zinc/49/26/17/583492617.db2.gz ICHGHEWTWJGCAW-NEPJUHHUSA-N 0 3 195.306 2.062 10 30 AEEEHN C=CCN(C)CCSC(F)(F)F 886145466 583492641 /nfs/dbraw/zinc/49/26/41/583492641.db2.gz ZJKZEUPCMXTBJP-UHFFFAOYSA-N 0 3 199.241 2.357 10 30 AEEEHN C=C(CC)CNCc1[nH]nc(C)c1C 886138357 583492902 /nfs/dbraw/zinc/49/29/02/583492902.db2.gz IPKHKRBWIVWPBL-UHFFFAOYSA-N 0 3 193.294 2.082 10 30 AEEEHN C=C(CC)CNCc1n[nH]c(C)c1C 886138357 583492904 /nfs/dbraw/zinc/49/29/04/583492904.db2.gz IPKHKRBWIVWPBL-UHFFFAOYSA-N 0 3 193.294 2.082 10 30 AEEEHN C=CCN(C)C[C@H]1CC[C@H](C2CC2)O1 886144832 583493070 /nfs/dbraw/zinc/49/30/70/583493070.db2.gz ICHGHEWTWJGCAW-VXGBXAGGSA-N 0 3 195.306 2.062 10 30 AEEEHN C=CCN(C)CCOC1CCCCC1 886144696 583493077 /nfs/dbraw/zinc/49/30/77/583493077.db2.gz DTNXEZRPOCYWOM-UHFFFAOYSA-N 0 3 197.322 2.454 10 30 AEEEHN C=CCN(C)C[C@@H]1CC[C@H](C2CC2)O1 886144830 583493245 /nfs/dbraw/zinc/49/32/45/583493245.db2.gz ICHGHEWTWJGCAW-NWDGAFQWSA-N 0 3 195.306 2.062 10 30 AEEEHN C#CCN(C)CCCCCC 137626951 583494951 /nfs/dbraw/zinc/49/49/51/583494951.db2.gz DIYIPEPKHVUAPX-UHFFFAOYSA-N 0 3 153.269 2.132 10 30 AEEEHN C#CC[C@@H]1CCN(C/C=C/Cl)C1 886354134 583497865 /nfs/dbraw/zinc/49/78/65/583497865.db2.gz WTHKQWRVTOLUHA-QLCVYAKKSA-N 0 3 183.682 2.084 10 30 AEEEHN C#CC[C@H]1CCN(C/C=C\Cl)C1 886354133 583498024 /nfs/dbraw/zinc/49/80/24/583498024.db2.gz WTHKQWRVTOLUHA-NWPZZWLHSA-N 0 3 183.682 2.084 10 30 AEEEHN C#CC[C@@H]1CCN(C/C=C\Cl)C1 886354135 583498099 /nfs/dbraw/zinc/49/80/99/583498099.db2.gz WTHKQWRVTOLUHA-XICOKMJESA-N 0 3 183.682 2.084 10 30 AEEEHN C#CC[C@H]1CCN(C/C=C/Cl)C1 886354136 583498288 /nfs/dbraw/zinc/49/82/88/583498288.db2.gz WTHKQWRVTOLUHA-YVGDHZEHSA-N 0 3 183.682 2.084 10 30 AEEEHN C#CC[C@@H]1CCN(CC(=C)Cl)C1 886355849 583498613 /nfs/dbraw/zinc/49/86/13/583498613.db2.gz OOSKNBPVAHIVTM-SNVBAGLBSA-N 0 3 183.682 2.084 10 30 AEEEHN C#CC[C@H]1CCN(CC(=C)Cl)C1 886355848 583498622 /nfs/dbraw/zinc/49/86/22/583498622.db2.gz OOSKNBPVAHIVTM-JTQLQIEISA-N 0 3 183.682 2.084 10 30 AEEEHN CCCCCCCN1CCN(C)CC1 138595151 583500767 /nfs/dbraw/zinc/50/07/67/583500767.db2.gz FSVIYFNDCHOFRT-UHFFFAOYSA-N 0 3 198.354 2.204 10 30 AEEEHN C=CCCCNCc1conc1C 378803656 490139213 /nfs/dbraw/zinc/13/92/13/490139213.db2.gz WLYRPNWIJZSXGY-UHFFFAOYSA-N 0 3 180.251 2.039 10 30 AEEEHN C=CCCCNCc1c(C)noc1C 86110674 491028311 /nfs/dbraw/zinc/02/83/11/491028311.db2.gz OJKBLQLIRLFMBP-UHFFFAOYSA-N 0 3 194.278 2.347 10 30 AEEEHN C=C[C@H](C)NCc1ccccc1F 130459402 491033634 /nfs/dbraw/zinc/03/36/34/491033634.db2.gz GBTQFMRUXMYCOD-VIFPVBQESA-N 0 3 179.238 2.490 10 30 AEEEHN C=C[C@@H](C)NCc1ccc(F)cc1 130430731 491033648 /nfs/dbraw/zinc/03/36/48/491033648.db2.gz AQVMICPELWNOGN-SECBINFHSA-N 0 3 179.238 2.490 10 30 AEEEHN C=C[C@@H](C)NCc1cccc(F)c1 130432388 491033674 /nfs/dbraw/zinc/03/36/74/491033674.db2.gz CDMMTXCXLVFZTB-SECBINFHSA-N 0 3 179.238 2.490 10 30 AEEEHN C=C[C@@H](C)NCc1ccccc1F 130459623 491033743 /nfs/dbraw/zinc/03/37/43/491033743.db2.gz GBTQFMRUXMYCOD-SECBINFHSA-N 0 3 179.238 2.490 10 30 AEEEHN C=C[C@H](C)NCc1cccc(F)c1 130432206 491033750 /nfs/dbraw/zinc/03/37/50/491033750.db2.gz CDMMTXCXLVFZTB-VIFPVBQESA-N 0 3 179.238 2.490 10 30 AEEEHN C=C[C@H](C)NCc1ccc(F)cc1 130430523 491033792 /nfs/dbraw/zinc/03/37/92/491033792.db2.gz AQVMICPELWNOGN-VIFPVBQESA-N 0 3 179.238 2.490 10 30 AEEEHN C=CCCCNCc1cncs1 131475025 491034866 /nfs/dbraw/zinc/03/48/66/491034866.db2.gz ARYBHPYXIVBWOX-UHFFFAOYSA-N 0 3 182.292 2.199 10 30 AEEEHN C=CCN[C@@H](COC)c1ccccc1 223718444 491041405 /nfs/dbraw/zinc/04/14/05/491041405.db2.gz ANHDAYXXNRNTBC-LBPRGKRZSA-N 0 3 191.274 2.150 10 30 AEEEHN C=CCN[C@H](COC)c1ccccc1 223718493 491041426 /nfs/dbraw/zinc/04/14/26/491041426.db2.gz ANHDAYXXNRNTBC-GFCCVEGCSA-N 0 3 191.274 2.150 10 30 AEEEHN C=C(C)CN[C@H](C)c1cncc(F)c1 228578796 491044477 /nfs/dbraw/zinc/04/44/77/491044477.db2.gz ZQCJYYLSAQCQRC-SECBINFHSA-N 0 3 194.253 2.447 10 30 AEEEHN C=CCN[C@H](C)c1cncc(F)c1 228578397 491044512 /nfs/dbraw/zinc/04/45/12/491044512.db2.gz SMISNXVUYFVABL-MRVPVSSYSA-N 0 3 180.226 2.057 10 30 AEEEHN C=C[C@@H](C)NCc1cnccc1C 229325282 491045068 /nfs/dbraw/zinc/04/50/68/491045068.db2.gz WAOGRSVGNOLSOH-SNVBAGLBSA-N 0 3 176.263 2.054 10 30 AEEEHN C=C[C@H](C)NCc1cnccc1C 229325295 491045086 /nfs/dbraw/zinc/04/50/86/491045086.db2.gz WAOGRSVGNOLSOH-JTQLQIEISA-N 0 3 176.263 2.054 10 30 AEEEHN C=C(C)CN(C)[C@H](C)C#CCC 306331414 491048644 /nfs/dbraw/zinc/04/86/44/491048644.db2.gz DBLODVVORIMCRO-LLVKDONJSA-N 0 3 165.280 2.296 10 30 AEEEHN C=C(C)CN(C)[C@@H](C)C#CCC 306331415 491048696 /nfs/dbraw/zinc/04/86/96/491048696.db2.gz DBLODVVORIMCRO-NSHDSACASA-N 0 3 165.280 2.296 10 30 AEEEHN C=C(CC)CN1CCS[C@@H](C)C1 306361761 491049245 /nfs/dbraw/zinc/04/92/45/491049245.db2.gz QDJLLTGRSBLWNS-JTQLQIEISA-N 0 3 185.336 2.390 10 30 AEEEHN C=C(CC)CN1CCSC[C@H]1C 306792558 491055810 /nfs/dbraw/zinc/05/58/10/491055810.db2.gz GLTAVEHCWXXWSY-SNVBAGLBSA-N 0 3 185.336 2.390 10 30 AEEEHN C=C(CC)CN1CCSC[C@@H]1C 306792555 491055868 /nfs/dbraw/zinc/05/58/68/491055868.db2.gz GLTAVEHCWXXWSY-JTQLQIEISA-N 0 3 185.336 2.390 10 30 AEEEHN C=CCCN1CC[C@@H](C)[C@H](F)C1 307047657 491058064 /nfs/dbraw/zinc/05/80/64/491058064.db2.gz ATJBFKIWRXGSQL-NXEZZACHSA-N 0 3 171.259 2.242 10 30 AEEEHN C=CCCN1CC[C@H](C)[C@H](F)C1 307047664 491058092 /nfs/dbraw/zinc/05/80/92/491058092.db2.gz ATJBFKIWRXGSQL-VHSXEESVSA-N 0 3 171.259 2.242 10 30 AEEEHN C=CCCN1CC[C@H](C)[C@@H](F)C1 307047661 491058095 /nfs/dbraw/zinc/05/80/95/491058095.db2.gz ATJBFKIWRXGSQL-UWVGGRQHSA-N 0 3 171.259 2.242 10 30 AEEEHN C=CCCN1CC[C@@H](C)[C@@H](F)C1 307047668 491058100 /nfs/dbraw/zinc/05/81/00/491058100.db2.gz ATJBFKIWRXGSQL-ZJUUUORDSA-N 0 3 171.259 2.242 10 30 AEEEHN CCC#C[C@H](C)N1CCC=C(C)C1 307386271 491061279 /nfs/dbraw/zinc/06/12/79/491061279.db2.gz AKEJBJQGZFPDGO-LBPRGKRZSA-N 0 3 177.291 2.440 10 30 AEEEHN CCC#C[C@@H](C)N1CCC=C(C)C1 307386270 491061295 /nfs/dbraw/zinc/06/12/95/491061295.db2.gz AKEJBJQGZFPDGO-GFCCVEGCSA-N 0 3 177.291 2.440 10 30 AEEEHN C=C(C)CN1C[C@H](C)O[C@H](C)[C@@H]1C 307509554 491062907 /nfs/dbraw/zinc/06/29/07/491062907.db2.gz CGBHRZOZVQBHQN-GARJFASQSA-N 0 3 183.295 2.060 10 30 AEEEHN C=C(C)CN1C[C@H](C)O[C@@H](C)[C@H]1C 307509537 491062967 /nfs/dbraw/zinc/06/29/67/491062967.db2.gz CGBHRZOZVQBHQN-AXFHLTTASA-N 0 3 183.295 2.060 10 30 AEEEHN C=C(C)CN1C[C@H](C)O[C@@H](C)[C@@H]1C 307509545 491063023 /nfs/dbraw/zinc/06/30/23/491063023.db2.gz CGBHRZOZVQBHQN-DCAQKATOSA-N 0 3 183.295 2.060 10 30 AEEEHN C=C(C)CN1C[C@H](C)O[C@H](C)[C@H]1C 307509560 491063036 /nfs/dbraw/zinc/06/30/36/491063036.db2.gz CGBHRZOZVQBHQN-HBNTYKKESA-N 0 3 183.295 2.060 10 30 AEEEHN C=C(C)CN(C)CC=C(C)C 307682541 491067399 /nfs/dbraw/zinc/06/73/99/491067399.db2.gz FNGPGIWUPMNJAR-UHFFFAOYSA-N 0 3 153.269 2.461 10 30 AEEEHN C=CCNCc1csc(C)c1 307694891 491068229 /nfs/dbraw/zinc/06/82/29/491068229.db2.gz YFQAKOUGTSMORH-UHFFFAOYSA-N 0 3 167.277 2.332 10 30 AEEEHN CCC#C[C@@H](C)N1[C@@H](C)C[C@H]1C 307712688 491068863 /nfs/dbraw/zinc/06/88/63/491068863.db2.gz XUNAZVQTSUGQSL-MXWKQRLJSA-N 0 3 165.280 2.271 10 30 AEEEHN CCC#C[C@H](C)N1[C@@H](C)C[C@@H]1C 307712685 491068896 /nfs/dbraw/zinc/06/88/96/491068896.db2.gz XUNAZVQTSUGQSL-DCAQKATOSA-N 0 3 165.280 2.271 10 30 AEEEHN CCC#C[C@H](C)N1[C@H](C)C[C@H]1C 307712687 491068917 /nfs/dbraw/zinc/06/89/17/491068917.db2.gz XUNAZVQTSUGQSL-HBNTYKKESA-N 0 3 165.280 2.271 10 30 AEEEHN CCC#C[C@H](C)N1[C@@H](C)C[C@H]1C 307712686 491068929 /nfs/dbraw/zinc/06/89/29/491068929.db2.gz XUNAZVQTSUGQSL-GARJFASQSA-N 0 3 165.280 2.271 10 30 AEEEHN C=CCCCNCc1nccs1 307928937 491071564 /nfs/dbraw/zinc/07/15/64/491071564.db2.gz AWHJSZMFGMVWKR-UHFFFAOYSA-N 0 3 182.292 2.199 10 30 AEEEHN C=C(C)CN(CC)CC1(F)CC1 307994470 491075171 /nfs/dbraw/zinc/07/51/71/491075171.db2.gz VJZQEMLKGMVBJF-UHFFFAOYSA-N 0 3 171.259 2.387 10 30 AEEEHN C=C1CCN(CCCCF)CC1 308075697 491077534 /nfs/dbraw/zinc/07/75/34/491077534.db2.gz FGFIFGGEHDPMHH-UHFFFAOYSA-N 0 3 171.259 2.388 10 30 AEEEHN C=CCOCCNCc1ccsc1 308164565 491082253 /nfs/dbraw/zinc/08/22/53/491082253.db2.gz YUESVKHKJLRVDE-UHFFFAOYSA-N 0 3 197.303 2.040 10 30 AEEEHN C=C(CC)CN(C)C1(COC)CC1 308168562 491082402 /nfs/dbraw/zinc/08/24/02/491082402.db2.gz BNWMLKNVLPMWTK-UHFFFAOYSA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCN(CC)Cc1ccncc1 308171573 491082481 /nfs/dbraw/zinc/08/24/81/491082481.db2.gz BNYCXJREAUQNNB-UHFFFAOYSA-N 0 3 176.263 2.090 10 30 AEEEHN C=C(CC)CN[C@@H](C)c1cn[nH]c1 308188777 491083367 /nfs/dbraw/zinc/08/33/67/491083367.db2.gz LWERLLCMVNYNEX-VIFPVBQESA-N 0 3 179.267 2.027 10 30 AEEEHN C=C(CC)CN[C@H](C)c1cn[nH]c1 308188775 491083446 /nfs/dbraw/zinc/08/34/46/491083446.db2.gz LWERLLCMVNYNEX-SECBINFHSA-N 0 3 179.267 2.027 10 30 AEEEHN C=C(C)CNCc1cccnc1C 308205884 491084100 /nfs/dbraw/zinc/08/41/00/491084100.db2.gz HVGHMZQXGJADBK-UHFFFAOYSA-N 0 3 176.263 2.056 10 30 AEEEHN C=CCN(C)Cc1cccc(O)c1 308221523 491085584 /nfs/dbraw/zinc/08/55/84/491085584.db2.gz CSGYFKAFTWIVMT-UHFFFAOYSA-N 0 3 177.247 2.010 10 30 AEEEHN C=CCCC[C@@H](C)N1CCOCC1 308248813 491087957 /nfs/dbraw/zinc/08/79/57/491087957.db2.gz GSLJPCIORKGVMI-LLVKDONJSA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCCC[C@H](C)N1CCOCC1 308248818 491088053 /nfs/dbraw/zinc/08/80/53/491088053.db2.gz GSLJPCIORKGVMI-NSHDSACASA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCCCN1CCO[C@H](C)[C@H]1C 308250485 491088245 /nfs/dbraw/zinc/08/82/45/491088245.db2.gz AVNIEJNGEGYWDN-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCN1CCO[C@@H](C)[C@@H]1C 308250494 491088253 /nfs/dbraw/zinc/08/82/53/491088253.db2.gz AVNIEJNGEGYWDN-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCN1CCO[C@H](C)[C@@H]1C 308250498 491088381 /nfs/dbraw/zinc/08/83/81/491088381.db2.gz AVNIEJNGEGYWDN-WDEREUQCSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCN1CCO[C@@H](C)[C@H]1C 308250490 491088395 /nfs/dbraw/zinc/08/83/95/491088395.db2.gz AVNIEJNGEGYWDN-MNOVXSKESA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCN(C)Cc1ccccn1 308250758 491088623 /nfs/dbraw/zinc/08/86/23/491088623.db2.gz FHDHKRSTOISZCX-UHFFFAOYSA-N 0 3 176.263 2.090 10 30 AEEEHN C=C(CC)CN(C)C[C@@H]1CCCO1 308253727 491088969 /nfs/dbraw/zinc/08/89/69/491088969.db2.gz CRPMSELVVNRQCT-NSHDSACASA-N 0 3 183.295 2.063 10 30 AEEEHN C=C(CC)CN(C)C[C@H]1CCCO1 308253726 491089003 /nfs/dbraw/zinc/08/90/03/491089003.db2.gz CRPMSELVVNRQCT-LLVKDONJSA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCCCN[C@@H](C)c1nccn1C 308510498 491109378 /nfs/dbraw/zinc/10/93/78/491109378.db2.gz BTEDKPAWKFULCN-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN C=CCCCN[C@H](C)c1nccn1C 308510502 491109386 /nfs/dbraw/zinc/10/93/86/491109386.db2.gz BTEDKPAWKFULCN-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN C=CCN(C)CCc1ncc(C)s1 308484933 491106732 /nfs/dbraw/zinc/10/67/32/491106732.db2.gz ORUFBFCXEGGJQZ-UHFFFAOYSA-N 0 3 196.319 2.112 10 30 AEEEHN C=CCCCN[C@H](C)c1cnccn1 308551814 491111258 /nfs/dbraw/zinc/11/12/58/491111258.db2.gz QMBODWRWYIDEBP-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCCCN[C@@H](C)c1cnccn1 308551811 491111311 /nfs/dbraw/zinc/11/13/11/491111311.db2.gz QMBODWRWYIDEBP-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=CCN[C@@H](c1cccnc1)C1CC1 308661072 491116514 /nfs/dbraw/zinc/11/65/14/491116514.db2.gz PXTPQPNSMNYMMJ-GFCCVEGCSA-N 0 3 188.274 2.308 10 30 AEEEHN C=CCN[C@H](c1cccnc1)C1CC1 308661073 491116574 /nfs/dbraw/zinc/11/65/74/491116574.db2.gz PXTPQPNSMNYMMJ-LBPRGKRZSA-N 0 3 188.274 2.308 10 30 AEEEHN C#C[C@@H](C)NCc1csc(C)c1 307038742 1188804582 /nfs/dbraw/zinc/80/45/82/1188804582.db2.gz HNWASXPFJSHYFX-MRVPVSSYSA-N 0 3 179.288 2.168 10 30 AEEEHN CCN(CCC#N)[C@H]1CC[C@@H](C)C1 308431632 1188812171 /nfs/dbraw/zinc/81/21/71/1188812171.db2.gz UFLLCJJAVGFENK-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CC#CCN(C)C[C@@H](OC)[C@@H](C)CC 897168586 1188827932 /nfs/dbraw/zinc/82/79/32/1188827932.db2.gz CKUGPAYGSBTHOV-NWDGAFQWSA-N 0 3 197.322 2.003 10 30 AEEEHN CC#CCN(C)C[C@@H](OC)[C@H](C)CC 897168588 1188827952 /nfs/dbraw/zinc/82/79/52/1188827952.db2.gz CKUGPAYGSBTHOV-VXGBXAGGSA-N 0 3 197.322 2.003 10 30 AEEEHN CC#CCN(C)C[C@H](OC)[C@@H](C)CC 897168587 1188827961 /nfs/dbraw/zinc/82/79/61/1188827961.db2.gz CKUGPAYGSBTHOV-RYUDHWBXSA-N 0 3 197.322 2.003 10 30 AEEEHN CC#CCN(C)C[C@H](OC)[C@H](C)CC 897168585 1188828045 /nfs/dbraw/zinc/82/80/45/1188828045.db2.gz CKUGPAYGSBTHOV-NEPJUHHUSA-N 0 3 197.322 2.003 10 30 AEEEHN C=CC[C@@H](C)N[C@H](CC)CC#N 122226851 697637939 /nfs/dbraw/zinc/63/79/39/697637939.db2.gz QKRFBXDZSRQPKI-NXEZZACHSA-N 0 3 166.268 2.233 10 30 AEEEHN C=CC[C@@H](C)N[C@@H](CC)CC#N 122226643 697638122 /nfs/dbraw/zinc/63/81/22/697638122.db2.gz QKRFBXDZSRQPKI-ZJUUUORDSA-N 0 3 166.268 2.233 10 30 AEEEHN C=CC[C@H](C)N[C@H](CC)CC#N 122226449 697638162 /nfs/dbraw/zinc/63/81/62/697638162.db2.gz QKRFBXDZSRQPKI-VHSXEESVSA-N 0 3 166.268 2.233 10 30 AEEEHN C=CC[C@H](C)N[C@@H](CC)CC#N 122226187 697638231 /nfs/dbraw/zinc/63/82/31/697638231.db2.gz QKRFBXDZSRQPKI-UWVGGRQHSA-N 0 3 166.268 2.233 10 30 AEEEHN C=C(C)CN[C@H](C)c1cncs1 167484763 697676147 /nfs/dbraw/zinc/67/61/47/697676147.db2.gz YELGWSPIHUNDFR-MRVPVSSYSA-N 0 3 182.292 2.370 10 30 AEEEHN C=C(C)CN[C@@H](C)c1cncs1 167484665 697676336 /nfs/dbraw/zinc/67/63/36/697676336.db2.gz YELGWSPIHUNDFR-QMMMGPOBSA-N 0 3 182.292 2.370 10 30 AEEEHN C[C@H](CC1CCC1)NCCC#N 229672333 697701182 /nfs/dbraw/zinc/70/11/82/697701182.db2.gz HJESARVYJAOPAF-SECBINFHSA-N 0 3 166.268 2.068 10 30 AEEEHN 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/nfs/dbraw/zinc/81/53/14/697815314.db2.gz HUZCUKXTBYAKFI-VHSXEESVSA-N 0 3 166.268 2.090 10 30 AEEEHN C=CC[C@@H](C)[C@H](C)NCCC#N 379322243 697815406 /nfs/dbraw/zinc/81/54/06/697815406.db2.gz HUZCUKXTBYAKFI-ZJUUUORDSA-N 0 3 166.268 2.090 10 30 AEEEHN C=CC[C@H](C)[C@H](C)NCCC#N 379322241 697815461 /nfs/dbraw/zinc/81/54/61/697815461.db2.gz HUZCUKXTBYAKFI-UWVGGRQHSA-N 0 3 166.268 2.090 10 30 AEEEHN C=CCN(CC1(F)CC1)C(C)C 379322186 697815528 /nfs/dbraw/zinc/81/55/28/697815528.db2.gz HLASJMKCJCQQOS-UHFFFAOYSA-N 0 3 171.259 2.385 10 30 AEEEHN CCN(CCC#N)[C@H](C)C1CC1 379323378 697816406 /nfs/dbraw/zinc/81/64/06/697816406.db2.gz PPNCEKHQOXJJNQ-SECBINFHSA-N 0 3 166.268 2.020 10 30 AEEEHN CCN(CCC#N)[C@@H](C)C1CC1 379323379 697816476 /nfs/dbraw/zinc/81/64/76/697816476.db2.gz PPNCEKHQOXJJNQ-VIFPVBQESA-N 0 3 166.268 2.020 10 30 AEEEHN N#CCCN[C@H]1CC[C@@H]1C1CCC1 379375255 697850832 /nfs/dbraw/zinc/85/08/32/697850832.db2.gz OTERJPWKQUZGKG-MNOVXSKESA-N 0 3 178.279 2.068 10 30 AEEEHN N#CCCN[C@H]1CC[C@H]1C1CCC1 379375256 697850957 /nfs/dbraw/zinc/85/09/57/697850957.db2.gz OTERJPWKQUZGKG-QWRGUYRKSA-N 0 3 178.279 2.068 10 30 AEEEHN N#CCCN[C@@H]1CC[C@H]1C1CCC1 379375257 697850986 /nfs/dbraw/zinc/85/09/86/697850986.db2.gz OTERJPWKQUZGKG-WDEREUQCSA-N 0 3 178.279 2.068 10 30 AEEEHN N#CCCN[C@@H]1CC[C@@H]1C1CCC1 379375254 697851022 /nfs/dbraw/zinc/85/10/22/697851022.db2.gz OTERJPWKQUZGKG-GHMZBOCLSA-N 0 3 178.279 2.068 10 30 AEEEHN C#C[C@@H](C)N(C)CCSC(C)(C)C 379382493 697858714 /nfs/dbraw/zinc/85/87/14/697858714.db2.gz FDCKPHNWZAJDGD-SNVBAGLBSA-N 0 3 199.363 2.472 10 30 AEEEHN C#C[C@H](C)N(C)CCSC(C)(C)C 379382491 697859017 /nfs/dbraw/zinc/85/90/17/697859017.db2.gz FDCKPHNWZAJDGD-JTQLQIEISA-N 0 3 199.363 2.472 10 30 AEEEHN C[C@H](CCC(F)(F)F)NCCC#N 379387702 697863034 /nfs/dbraw/zinc/86/30/34/697863034.db2.gz IAYKXGBKCBJDJF-SSDOTTSWSA-N 0 3 194.200 2.221 10 30 AEEEHN C[C@@H](CCC(F)(F)F)NCCC#N 379387703 697863105 /nfs/dbraw/zinc/86/31/05/697863105.db2.gz IAYKXGBKCBJDJF-ZETCQYMHSA-N 0 3 194.200 2.221 10 30 AEEEHN C=C(C)CNCc1ccc(F)nc1C 379640423 697907815 /nfs/dbraw/zinc/90/78/15/697907815.db2.gz UMOSPYJBORWBSY-UHFFFAOYSA-N 0 3 194.253 2.195 10 30 AEEEHN C=CCCCN[C@H](C)c1ncc[nH]1 381853053 697914512 /nfs/dbraw/zinc/91/45/12/697914512.db2.gz REULFOHYZLRKCZ-SECBINFHSA-N 0 3 179.267 2.027 10 30 AEEEHN C=CCCCN[C@@H](C)c1ncc[nH]1 381853054 697914538 /nfs/dbraw/zinc/91/45/38/697914538.db2.gz REULFOHYZLRKCZ-VIFPVBQESA-N 0 3 179.267 2.027 10 30 AEEEHN C[C@H](C1CC1)N(C)CC(C)(C)C#N 381900255 697915779 /nfs/dbraw/zinc/91/57/79/697915779.db2.gz BYAIUDAJACWYAX-SECBINFHSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@@H](C1CC1)N(C)CC(C)(C)C#N 381900261 697915790 /nfs/dbraw/zinc/91/57/90/697915790.db2.gz BYAIUDAJACWYAX-VIFPVBQESA-N 0 3 180.295 2.266 10 30 AEEEHN CCON=C(C)c1ccc(N)cc1 385611846 697934756 /nfs/dbraw/zinc/93/47/56/697934756.db2.gz GSOZJCKOJWPZKJ-UHFFFAOYSA-N 0 3 178.235 2.029 10 30 AEEEHN CCCCCC(C)=Nn1cnnc1 388752650 697992639 /nfs/dbraw/zinc/99/26/39/697992639.db2.gz CDEXAHZJDZVFDQ-UHFFFAOYSA-N 0 3 180.255 2.082 10 30 AEEEHN C#C[C@@H](NCC1(F)CC1)C(C)(C)C 388795541 697996491 /nfs/dbraw/zinc/99/64/91/697996491.db2.gz NECAQROMDMSRQX-SECBINFHSA-N 0 3 183.270 2.126 10 30 AEEEHN C#C[C@H](NCC1(F)CC1)C(C)(C)C 388795542 697996524 /nfs/dbraw/zinc/99/65/24/697996524.db2.gz NECAQROMDMSRQX-VIFPVBQESA-N 0 3 183.270 2.126 10 30 AEEEHN C=CCN(C)CCC(=O)C(C)(C)C 388838663 697999320 /nfs/dbraw/zinc/99/93/20/697999320.db2.gz XXBMHHDBKQEBQM-UHFFFAOYSA-N 0 3 183.295 2.110 10 30 AEEEHN C=C[C@H](C)NCc1ccc(F)nc1C 389330866 698008756 /nfs/dbraw/zinc/00/87/56/698008756.db2.gz UYGRORHQTSYYKM-QMMMGPOBSA-N 0 3 194.253 2.193 10 30 AEEEHN C=C[C@@H](C)NCc1ccc(F)nc1C 389330860 698009109 /nfs/dbraw/zinc/00/91/09/698009109.db2.gz UYGRORHQTSYYKM-MRVPVSSYSA-N 0 3 194.253 2.193 10 30 AEEEHN C[C@@H](CC(C)(C)C)NCCC#N 394980743 698032182 /nfs/dbraw/zinc/03/21/82/698032182.db2.gz FWBMIISAGQPMLF-VIFPVBQESA-N 0 3 168.284 2.314 10 30 AEEEHN C[C@H](CC(C)(C)C)NCCC#N 394980742 698032350 /nfs/dbraw/zinc/03/23/50/698032350.db2.gz FWBMIISAGQPMLF-SECBINFHSA-N 0 3 168.284 2.314 10 30 AEEEHN N#CCCN[C@@H]1C[C@@H]2CCCC[C@@H]21 712410591 698058830 /nfs/dbraw/zinc/05/88/30/698058830.db2.gz UHUGVRYYRCTXQN-GARJFASQSA-N 0 3 178.279 2.068 10 30 AEEEHN C=C1CCC(CNCCC#N)CC1 724441296 698076072 /nfs/dbraw/zinc/07/60/72/698076072.db2.gz XEAHWEOGVLQMKS-UHFFFAOYSA-N 0 3 178.279 2.236 10 30 AEEEHN CC1(C)C[C@@H](NCCC#N)CCS1 725607041 698079505 /nfs/dbraw/zinc/07/95/05/698079505.db2.gz WOJBUKCJXKYHSI-VIFPVBQESA-N 0 3 198.335 2.164 10 30 AEEEHN C#CCCCN(CCC#N)CC1CC1 766902373 698090353 /nfs/dbraw/zinc/09/03/53/698090353.db2.gz HGFMPGWAQMDPOR-UHFFFAOYSA-N 0 3 190.290 2.025 10 30 AEEEHN C#C[C@@H](C)N(C)CCOCCC(C)C 769975227 698092448 /nfs/dbraw/zinc/09/24/48/698092448.db2.gz BGDDALWTIVQBMP-GFCCVEGCSA-N 0 3 197.322 2.003 10 30 AEEEHN C#C[C@H](C)N(C)CCOCCC(C)C 769975230 698092629 /nfs/dbraw/zinc/09/26/29/698092629.db2.gz BGDDALWTIVQBMP-LBPRGKRZSA-N 0 3 197.322 2.003 10 30 AEEEHN C#CCN(CC#C)C[C@H](C)C(C)(C)C 802640825 698101403 /nfs/dbraw/zinc/10/14/03/698101403.db2.gz QDJBEZNJTZQNDG-LBPRGKRZSA-N 0 3 191.318 2.237 10 30 AEEEHN C[Si](C)(C)CN1CCC[C@@H](C#N)C1 932156482 698182630 /nfs/dbraw/zinc/18/26/30/698182630.db2.gz GEIVCLUBAREZFP-JTQLQIEISA-N 0 3 196.370 2.099 10 30 AEEEHN C[Si](C)(C)CN1CCC[C@H](C#N)C1 932156483 698182800 /nfs/dbraw/zinc/18/28/00/698182800.db2.gz GEIVCLUBAREZFP-SNVBAGLBSA-N 0 3 196.370 2.099 10 30 AEEEHN C=CC[C@@H]1CCN1Cc1ccccn1 934468239 698187401 /nfs/dbraw/zinc/18/74/01/698187401.db2.gz AOXRGZKVPCWLQI-GFCCVEGCSA-N 0 3 188.274 2.232 10 30 AEEEHN C=CC[C@@H]1CCN1C/C=C/Cl 934467110 698187540 /nfs/dbraw/zinc/18/75/40/698187540.db2.gz WTGGFNYVVPQBGZ-BSPAPZMXSA-N 0 3 171.671 2.389 10 30 AEEEHN C=CC[C@H]1CCN1C/C=C\Cl 934467115 698187566 /nfs/dbraw/zinc/18/75/66/698187566.db2.gz WTGGFNYVVPQBGZ-RWIWAZIYSA-N 0 3 171.671 2.389 10 30 AEEEHN C=CC[C@@H]1CCN1C/C=C\Cl 934467113 698187575 /nfs/dbraw/zinc/18/75/75/698187575.db2.gz WTGGFNYVVPQBGZ-JVBZPZKUSA-N 0 3 171.671 2.389 10 30 AEEEHN C=CC[C@H]1CCN1C/C=C/Cl 934467118 698187609 /nfs/dbraw/zinc/18/76/09/698187609.db2.gz WTGGFNYVVPQBGZ-SWTNXBIASA-N 0 3 171.671 2.389 10 30 AEEEHN C=CC[C@H]1CCN1Cc1ccccn1 934468240 698187624 /nfs/dbraw/zinc/18/76/24/698187624.db2.gz AOXRGZKVPCWLQI-LBPRGKRZSA-N 0 3 188.274 2.232 10 30 AEEEHN CC1(CN[C@H]2CCC[C@H]2C#N)CCC1 224434232 133422655 /nfs/dbraw/zinc/42/26/55/133422655.db2.gz YUMHBHYHYZZLKC-QWRGUYRKSA-N 0 3 192.306 2.458 10 30 AEEEHN C=C(C)CN1CCCC[C@@]1(C)C(N)=O 336448824 133440224 /nfs/dbraw/zinc/44/02/24/133440224.db2.gz YJLYQXYPLIJJOB-NSHDSACASA-N 0 3 196.294 2.342 10 30 AEEEHN CC[C@@H](CC#N)N1CCC[C@H](C)C1 34434705 343119413 /nfs/dbraw/zinc/11/94/13/343119413.db2.gz PNDDLPDANRCMKH-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@H](CC#N)N1CCC[C@H](C)C1 34434708 343119439 /nfs/dbraw/zinc/11/94/39/343119439.db2.gz PNDDLPDANRCMKH-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C#N)C(=O)c1cc(F)ccc1F 34975758 343126785 /nfs/dbraw/zinc/12/67/85/343126785.db2.gz ONXQUSAWTZTRAA-ZCFIWIBFSA-N 0 3 195.168 2.307 10 30 AEEEHN CCC(C#N)C(=O)c1cccs1 36916049 343154410 /nfs/dbraw/zinc/15/44/10/343154410.db2.gz RAURFQPBOKXBPD-SSDOTTSWSA-N 0 3 179.244 2.481 10 30 AEEEHN CCCCCN[C@H](C)CC#N 37871112 343179093 /nfs/dbraw/zinc/17/90/93/343179093.db2.gz CPXLYRHBGUXYQO-SECBINFHSA-N 0 3 154.257 2.068 10 30 AEEEHN CC[C@@H](CC#N)N1CC[C@H](C)C1 40718196 343221987 /nfs/dbraw/zinc/22/19/87/343221987.db2.gz VUXHBPDYFKKTQQ-UWVGGRQHSA-N 0 3 166.268 2.020 10 30 AEEEHN C#CC[C@H](NC)c1ccc(F)cc1 51074572 343288664 /nfs/dbraw/zinc/28/86/64/343288664.db2.gz JIYPJQXNVYRNQN-NSHDSACASA-N 0 3 177.222 2.110 10 30 AEEEHN C#CC[C@@H](NC)c1ccc(F)cc1 51074574 343288726 /nfs/dbraw/zinc/28/87/26/343288726.db2.gz JIYPJQXNVYRNQN-LLVKDONJSA-N 0 3 177.222 2.110 10 30 AEEEHN CC#CCOc1ccccc1[C@H](C)N 51662260 343290472 /nfs/dbraw/zinc/29/04/72/343290472.db2.gz VYQHCPVTJPSBHS-JTQLQIEISA-N 0 3 189.258 2.108 10 30 AEEEHN C[C@H]1C[C@H]1NCC#Cc1ccccc1 52277623 343304163 /nfs/dbraw/zinc/30/41/63/343304163.db2.gz MTYQZGNUHAERAR-WCQYABFASA-N 0 3 185.270 2.036 10 30 AEEEHN CCC[C@H](C)N[C@H]1CCC[C@@H]1C#N 54823098 343329070 /nfs/dbraw/zinc/32/90/70/343329070.db2.gz SKTZFERUMDOCFV-AXFHLTTASA-N 0 3 180.295 2.457 10 30 AEEEHN CCCCCN[C@H]1CCC[C@H]1C#N 54823034 343329073 /nfs/dbraw/zinc/32/90/73/343329073.db2.gz OLFKWSGZGROOKC-QWRGUYRKSA-N 0 3 180.295 2.458 10 30 AEEEHN CC(C)[C@H](C)N[C@H]1CCC[C@@H]1C#N 54824740 343329884 /nfs/dbraw/zinc/32/98/84/343329884.db2.gz XSUHUPHXJBAMMM-AXFHLTTASA-N 0 3 180.295 2.313 10 30 AEEEHN CCCN[C@@H]1CCCC[C@H]1C#N 54824431 343329892 /nfs/dbraw/zinc/32/98/92/343329892.db2.gz KHSQLGHNJHYFTE-VHSXEESVSA-N 0 3 166.268 2.068 10 30 AEEEHN CCCCN[C@@H]1CCC[C@H]1C#N 54823391 343329894 /nfs/dbraw/zinc/32/98/94/343329894.db2.gz FDWXPJRMGOSHPN-VHSXEESVSA-N 0 3 166.268 2.068 10 30 AEEEHN CCCN[C@@H]1CCCC[C@@H]1C#N 54824429 343329896 /nfs/dbraw/zinc/32/98/96/343329896.db2.gz KHSQLGHNJHYFTE-NXEZZACHSA-N 0 3 166.268 2.068 10 30 AEEEHN CCCCN[C@H]1CCCC[C@@H]1C#N 54823394 343329898 /nfs/dbraw/zinc/32/98/98/343329898.db2.gz GLAQIJOCGQARTC-MNOVXSKESA-N 0 3 180.295 2.458 10 30 AEEEHN CC1(C)C[C@@H]1N[C@H]1CCC[C@@H]1C#N 54828357 343330265 /nfs/dbraw/zinc/33/02/65/343330265.db2.gz BFRLUXUEIVPOJN-UTLUCORTSA-N 0 3 178.279 2.067 10 30 AEEEHN CC[C@@H](CC#N)N[C@@H]1CCCSC1 61589648 343357450 /nfs/dbraw/zinc/35/74/50/343357450.db2.gz LOVJKEDUJOGHKX-VHSXEESVSA-N 0 3 198.335 2.164 10 30 AEEEHN N=C(Nc1cccnc1)C1CCCC1 62988282 343391828 /nfs/dbraw/zinc/39/18/28/343391828.db2.gz XCNXGYQMXZIPJY-UHFFFAOYSA-N 0 3 189.262 2.261 10 30 AEEEHN C[C@@H](CC#N)N1CCCC1(C)C 63067207 343399497 /nfs/dbraw/zinc/39/94/97/343399497.db2.gz CZWDVRXLIWOINQ-VIFPVBQESA-N 0 3 166.268 2.163 10 30 AEEEHN CSCCN[C@@H]1CCCC[C@H]1C#N 69000305 343420503 /nfs/dbraw/zinc/42/05/03/343420503.db2.gz VMKRBLJIQSSVLO-VHSXEESVSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]1C#N 70830362 343534497 /nfs/dbraw/zinc/53/44/97/343534497.db2.gz ZNUJYHLWGQSKOU-WISYIIOYSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1C[C@@H]1CN(C)[C@@H]1CCC[C@@H]1C#N 82648571 343609154 /nfs/dbraw/zinc/60/91/54/343609154.db2.gz NWOXMUZICPOQAB-DDHJBXDOSA-N 0 3 192.306 2.266 10 30 AEEEHN N#C[C@H]1CCCC[C@@H]1NCCC1CC1 83894516 343627894 /nfs/dbraw/zinc/62/78/94/343627894.db2.gz BNMXEKWVXCXLND-NEPJUHHUSA-N 0 3 192.306 2.458 10 30 AEEEHN CCN(CC)CC#Cc1cccs1 95632790 343684941 /nfs/dbraw/zinc/68/49/41/343684941.db2.gz QTZUFKYDLWCDHK-UHFFFAOYSA-N 0 3 193.315 2.441 10 30 AEEEHN C#C[C@H](N)c1ccccc1SC 130306988 343866329 /nfs/dbraw/zinc/86/63/29/343866329.db2.gz DYSLSQUVQBHASG-VIFPVBQESA-N 0 3 177.272 2.042 10 30 AEEEHN C#C[C@@H](N)c1ccccc1SC 130306780 343866343 /nfs/dbraw/zinc/86/63/43/343866343.db2.gz DYSLSQUVQBHASG-SECBINFHSA-N 0 3 177.272 2.042 10 30 AEEEHN C#CC(C)(C)NCc1ccccc1 36458912 166011402 /nfs/dbraw/zinc/01/14/02/166011402.db2.gz UOFIDVPMTSDCIZ-UHFFFAOYSA-N 0 3 173.259 2.188 10 30 AEEEHN C#CC1(N(C)CC=C)CCCC1 39081897 166015480 /nfs/dbraw/zinc/01/54/80/166015480.db2.gz JHKQBODHIHGSPC-UHFFFAOYSA-N 0 3 163.264 2.050 10 30 AEEEHN C#CCN(C)Cc1ccccc1C 32155537 166017427 /nfs/dbraw/zinc/01/74/27/166017427.db2.gz BIEGPBZDKLCGIM-UHFFFAOYSA-N 0 3 173.259 2.060 10 30 AEEEHN C#CCCOc1ccccc1[C@H](C)N 37697633 166017449 /nfs/dbraw/zinc/01/74/49/166017449.db2.gz DNWIROAZBMYYDF-JTQLQIEISA-N 0 3 189.258 2.108 10 30 AEEEHN C#CCCOc1ccccc1[C@@H](C)N 37697634 166017650 /nfs/dbraw/zinc/01/76/50/166017650.db2.gz DNWIROAZBMYYDF-SNVBAGLBSA-N 0 3 189.258 2.108 10 30 AEEEHN C#CCN1CCC(C(C)(C)C)CC1 39293989 166019631 /nfs/dbraw/zinc/01/96/31/166019631.db2.gz MJIAWJINANGQPX-UHFFFAOYSA-N 0 3 179.307 2.378 10 30 AEEEHN C#CCNCCc1ccc(Cl)cc1 49773328 166021198 /nfs/dbraw/zinc/02/11/98/166021198.db2.gz KZILJKATPZTEOL-UHFFFAOYSA-N 0 3 193.677 2.105 10 30 AEEEHN C#CCNC1CC(c2ccccc2)C1 36840316 166021875 /nfs/dbraw/zinc/02/18/75/166021875.db2.gz QHPGSPFOAQUKJR-UHFFFAOYSA-N 0 3 185.270 2.155 10 30 AEEEHN C#CCNCCSc1ccccc1 49900301 166022488 /nfs/dbraw/zinc/02/24/88/166022488.db2.gz BEMRRQPROXXWHK-UHFFFAOYSA-N 0 3 191.299 2.002 10 30 AEEEHN C#CCNCc1ccc(C)cc1C 19875327 166023401 /nfs/dbraw/zinc/02/34/01/166023401.db2.gz LFHZMCDMJUZKLD-UHFFFAOYSA-N 0 3 173.259 2.026 10 30 AEEEHN C#CCN[C@@H](CC)c1ccc(O)cc1 19875524 166023430 /nfs/dbraw/zinc/02/34/30/166023430.db2.gz AMCJHRQPTUBLCP-LBPRGKRZSA-N 0 3 189.258 2.066 10 30 AEEEHN C#CCNCc1cc(C)c(C)cc1C 34992266 166023709 /nfs/dbraw/zinc/02/37/09/166023709.db2.gz GHKGPUSDUJOMED-UHFFFAOYSA-N 0 3 187.286 2.335 10 30 AEEEHN C#CCNCc1ccc(Cl)cc1 19875340 166023827 /nfs/dbraw/zinc/02/38/27/166023827.db2.gz VRYFQVRFMNXTJS-UHFFFAOYSA-N 0 3 179.650 2.063 10 30 AEEEHN C#CCNCc1cc(C)cc(C)c1 37979044 166023862 /nfs/dbraw/zinc/02/38/62/166023862.db2.gz KXENIXMXKHAFJB-UHFFFAOYSA-N 0 3 173.259 2.026 10 30 AEEEHN C#CCNCc1cc(C)ccc1C 42209307 166024174 /nfs/dbraw/zinc/02/41/74/166024174.db2.gz UZMBNCBTOUOGNF-UHFFFAOYSA-N 0 3 173.259 2.026 10 30 AEEEHN C#CC[NH2+][C@@H](CC)c1ccccc1[O-] 19875592 166024199 /nfs/dbraw/zinc/02/41/99/166024199.db2.gz OQQXPVIRSXLXMK-NSHDSACASA-N 0 3 189.258 2.066 10 30 AEEEHN C#CCN[C@@H](C)c1cccs1 19875478 166024227 /nfs/dbraw/zinc/02/42/27/166024227.db2.gz JTRSBQOMURJZLN-QMMMGPOBSA-N 0 3 165.261 2.032 10 30 AEEEHN C#CCNCc1cc(C)sc1C 49684774 166024318 /nfs/dbraw/zinc/02/43/18/166024318.db2.gz KSIIDEWRUHGTFW-UHFFFAOYSA-N 0 3 179.288 2.088 10 30 AEEEHN C#CCNCc1ccc(SC)cc1 20084683 166024354 /nfs/dbraw/zinc/02/43/54/166024354.db2.gz PJHONYKDTBAVGJ-UHFFFAOYSA-N 0 3 191.299 2.131 10 30 AEEEHN C#CCN[C@@H](C)c1ccccc1C 19875566 166024403 /nfs/dbraw/zinc/02/44/03/166024403.db2.gz GJZZFKYKFPNFBO-NSHDSACASA-N 0 3 173.259 2.279 10 30 AEEEHN C#CCNCc1cccc(Cl)c1 19875647 166024967 /nfs/dbraw/zinc/02/49/67/166024967.db2.gz XREVDZJQJDLXJE-UHFFFAOYSA-N 0 3 179.650 2.063 10 30 AEEEHN C#CCNCc1cccc(C)c1C 48298195 166024974 /nfs/dbraw/zinc/02/49/74/166024974.db2.gz MCOICIHHCAUWQY-UHFFFAOYSA-N 0 3 173.259 2.026 10 30 AEEEHN C#CCNCc1c(C)cc(C)cc1C 19875367 166025026 /nfs/dbraw/zinc/02/50/26/166025026.db2.gz UEVMTOPKFZDACU-UHFFFAOYSA-N 0 3 187.286 2.335 10 30 AEEEHN C#CCN[C@@H](CC)c1ccccc1 19875441 166025087 /nfs/dbraw/zinc/02/50/87/166025087.db2.gz ALXNUKXFALUMDK-LBPRGKRZSA-N 0 3 173.259 2.361 10 30 AEEEHN C#CCNCc1ccc(C)c(C)c1 34992255 166025138 /nfs/dbraw/zinc/02/51/38/166025138.db2.gz RALFRKCFBMMCOM-UHFFFAOYSA-N 0 3 173.259 2.026 10 30 AEEEHN C#CCNCc1ccc(CC)s1 20033462 166025178 /nfs/dbraw/zinc/02/51/78/166025178.db2.gz OHAJAVHCIYTAIZ-UHFFFAOYSA-N 0 3 179.288 2.033 10 30 AEEEHN C#CCN[C@@H](C)c1cccc(C)c1 37184872 166025538 /nfs/dbraw/zinc/02/55/38/166025538.db2.gz HMANHMXQALFSLN-NSHDSACASA-N 0 3 173.259 2.279 10 30 AEEEHN C#CCN[C@H](C)c1cccs1 19875477 166025978 /nfs/dbraw/zinc/02/59/78/166025978.db2.gz JTRSBQOMURJZLN-MRVPVSSYSA-N 0 3 165.261 2.032 10 30 AEEEHN C#CCN[C@H](C)c1ccccc1C 19875565 166026101 /nfs/dbraw/zinc/02/61/01/166026101.db2.gz GJZZFKYKFPNFBO-LLVKDONJSA-N 0 3 173.259 2.279 10 30 AEEEHN C#CCN[C@H](CC)c1ccccc1 19875440 166026161 /nfs/dbraw/zinc/02/61/61/166026161.db2.gz ALXNUKXFALUMDK-GFCCVEGCSA-N 0 3 173.259 2.361 10 30 AEEEHN C#CCN[C@@H]1CCc2cc(F)ccc21 36459261 166026770 /nfs/dbraw/zinc/02/67/70/166026770.db2.gz RAWRWXXSRQSLRX-GFCCVEGCSA-N 0 3 189.233 2.036 10 30 AEEEHN C#CCN[C@H]1CCc2cc(F)ccc21 38338812 166027212 /nfs/dbraw/zinc/02/72/12/166027212.db2.gz RAWRWXXSRQSLRX-LBPRGKRZSA-N 0 3 189.233 2.036 10 30 AEEEHN C#CCN[C@H](C)c1cccc(C)c1 37184871 166027545 /nfs/dbraw/zinc/02/75/45/166027545.db2.gz HMANHMXQALFSLN-LLVKDONJSA-N 0 3 173.259 2.279 10 30 AEEEHN C#CC[NH2+][C@H](CC)c1ccccc1[O-] 19875591 166027615 /nfs/dbraw/zinc/02/76/15/166027615.db2.gz OQQXPVIRSXLXMK-LLVKDONJSA-N 0 3 189.258 2.066 10 30 AEEEHN C#CCN[C@@H]1CCc2c(F)cccc21 34484635 166027634 /nfs/dbraw/zinc/02/76/34/166027634.db2.gz REMZONJIIBEOHN-GFCCVEGCSA-N 0 3 189.233 2.036 10 30 AEEEHN C#CCN[C@H](CC)c1ccc(O)cc1 19875523 166027817 /nfs/dbraw/zinc/02/78/17/166027817.db2.gz AMCJHRQPTUBLCP-GFCCVEGCSA-N 0 3 189.258 2.066 10 30 AEEEHN C#CCN[C@H]1CCc2c(F)cccc21 34484636 166027831 /nfs/dbraw/zinc/02/78/31/166027831.db2.gz REMZONJIIBEOHN-LBPRGKRZSA-N 0 3 189.233 2.036 10 30 AEEEHN C#CCNc1ccnc2ccccc12 50522645 166028532 /nfs/dbraw/zinc/02/85/32/166028532.db2.gz FLOUYAXYAYJMSH-UHFFFAOYSA-N 0 3 182.226 2.280 10 30 AEEEHN C#CC[C@@H](NC)c1ccc(C)c(F)c1 51074945 166031310 /nfs/dbraw/zinc/03/13/10/166031310.db2.gz YTMFFOOWHNFSNK-GFCCVEGCSA-N 0 3 191.249 2.418 10 30 AEEEHN C#CC[C@@H](NCC)c1ncccc1C 51075182 166031357 /nfs/dbraw/zinc/03/13/57/166031357.db2.gz FBNFPPVVHMUSSP-LLVKDONJSA-N 0 3 188.274 2.064 10 30 AEEEHN C#CC[C@@H](NC)c1cc(F)cc(F)c1 51075140 166031620 /nfs/dbraw/zinc/03/16/20/166031620.db2.gz AOWNEEBVXUJBQU-LLVKDONJSA-N 0 3 195.212 2.249 10 30 AEEEHN C#CC[C@@H](N)c1cc(F)c(F)c(F)c1 51075146 166031848 /nfs/dbraw/zinc/03/18/48/166031848.db2.gz XWWYHIPSRAPETG-SECBINFHSA-N 0 3 199.175 2.127 10 30 AEEEHN C#CC[C@@H](NC)c1ccsc1 51074802 166032107 /nfs/dbraw/zinc/03/21/07/166032107.db2.gz GATJSALCAVODGV-SECBINFHSA-N 0 3 165.261 2.032 10 30 AEEEHN C#CC[C@@H](N)c1ccccc1Cl 51075252 166032330 /nfs/dbraw/zinc/03/23/30/166032330.db2.gz GBZWHRCIWRCQTQ-SNVBAGLBSA-N 0 3 179.650 2.363 10 30 AEEEHN C#CC[C@@H](NC)c1ccc(F)c(F)c1 51074813 166032458 /nfs/dbraw/zinc/03/24/58/166032458.db2.gz XURVQQPVVMLIGO-LLVKDONJSA-N 0 3 195.212 2.249 10 30 AEEEHN C#CC[C@@H](NCC)c1ccsc1 51074807 166032470 /nfs/dbraw/zinc/03/24/70/166032470.db2.gz AVSBEZVAGLNUDI-SNVBAGLBSA-N 0 3 179.288 2.422 10 30 AEEEHN C#CC[C@@H](NC)c1ccc(F)c(C)c1 51075012 166032539 /nfs/dbraw/zinc/03/25/39/166032539.db2.gz BRGSDFNQBSRACK-GFCCVEGCSA-N 0 3 191.249 2.418 10 30 AEEEHN C#CC[C@H](N)c1ccccc1Cl 51075251 166033296 /nfs/dbraw/zinc/03/32/96/166033296.db2.gz GBZWHRCIWRCQTQ-JTQLQIEISA-N 0 3 179.650 2.363 10 30 AEEEHN C#CC[C@H](N)c1cc(F)c(F)c(F)c1 51075145 166033800 /nfs/dbraw/zinc/03/38/00/166033800.db2.gz XWWYHIPSRAPETG-VIFPVBQESA-N 0 3 199.175 2.127 10 30 AEEEHN C#CC[C@H](NCC)c1ncccc1C 51075181 166034093 /nfs/dbraw/zinc/03/40/93/166034093.db2.gz FBNFPPVVHMUSSP-NSHDSACASA-N 0 3 188.274 2.064 10 30 AEEEHN C#CC[C@H](NC)c1ccc(F)c(F)c1 51074811 166034148 /nfs/dbraw/zinc/03/41/48/166034148.db2.gz XURVQQPVVMLIGO-NSHDSACASA-N 0 3 195.212 2.249 10 30 AEEEHN C#CC[C@H](NC)c1ccc(F)c(C)c1 51075013 166034248 /nfs/dbraw/zinc/03/42/48/166034248.db2.gz BRGSDFNQBSRACK-LBPRGKRZSA-N 0 3 191.249 2.418 10 30 AEEEHN C#CC[C@H](NC)c1cc(F)cc(F)c1 51075138 166034303 /nfs/dbraw/zinc/03/43/03/166034303.db2.gz AOWNEEBVXUJBQU-NSHDSACASA-N 0 3 195.212 2.249 10 30 AEEEHN C#CC[C@H](NC)c1ccc(C)c(F)c1 51074946 166034507 /nfs/dbraw/zinc/03/45/07/166034507.db2.gz YTMFFOOWHNFSNK-LBPRGKRZSA-N 0 3 191.249 2.418 10 30 AEEEHN C#CC[C@H](NC)c1ccsc1 51074800 166034596 /nfs/dbraw/zinc/03/45/96/166034596.db2.gz GATJSALCAVODGV-VIFPVBQESA-N 0 3 165.261 2.032 10 30 AEEEHN C#CC[C@H](NCC)c1ccsc1 51074805 166034624 /nfs/dbraw/zinc/03/46/24/166034624.db2.gz AVSBEZVAGLNUDI-JTQLQIEISA-N 0 3 179.288 2.422 10 30 AEEEHN C(#Cc1ccccc1)CNCC1CCC1 51814103 166043957 /nfs/dbraw/zinc/04/39/57/166043957.db2.gz YQZJDDILCOZQRQ-UHFFFAOYSA-N 0 3 199.297 2.428 10 30 AEEEHN C(#Cc1ccccc1)CNCC1CC1 51813972 166044059 /nfs/dbraw/zinc/04/40/59/166044059.db2.gz PXVBXQXQNMNBLU-UHFFFAOYSA-N 0 3 185.270 2.038 10 30 AEEEHN C(#Cc1ccccc1)CNC1CCC1 52209513 166044896 /nfs/dbraw/zinc/04/48/96/166044896.db2.gz XSIUOKCZUBLQIV-UHFFFAOYSA-N 0 3 185.270 2.180 10 30 AEEEHN C/C(=N\OC(C)C)c1ccc(N)cc1 77252438 166056268 /nfs/dbraw/zinc/05/62/68/166056268.db2.gz IQSBIOMRRGEUCG-UKTHLTGXSA-N 0 3 192.262 2.418 10 30 AEEEHN C/N=C(\c1ccccc1)C(C)(C)NC 5713254 166069870 /nfs/dbraw/zinc/06/98/70/166069870.db2.gz OGBMWWXYLZHVGJ-ACCUITESSA-N 0 3 190.290 2.104 10 30 AEEEHN C/C=N/Cc1ccc(OC)cc1 39089494 166070590 /nfs/dbraw/zinc/07/05/90/166070590.db2.gz SHWWDKFGQFAYAC-QDEBKDIKSA-N 0 3 163.220 2.286 10 30 AEEEHN CN=CNc1ccccc1C 39330107 166071532 /nfs/dbraw/zinc/07/15/32/166071532.db2.gz VHBPKDUEKNEACG-UHFFFAOYSA-N 0 3 148.209 2.065 10 30 AEEEHN C=C(C)CCN1C[C@@H](C)OC[C@@H]1C 306511204 166116735 /nfs/dbraw/zinc/11/67/35/166116735.db2.gz MMDWVIWHIBQHMY-WDEREUQCSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(C)CCN1C[C@H](C)OC[C@@H]1C 306511203 166116904 /nfs/dbraw/zinc/11/69/04/166116904.db2.gz MMDWVIWHIBQHMY-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(C)CCN1C[C@H](C)OC[C@H]1C 306511202 166116977 /nfs/dbraw/zinc/11/69/77/166116977.db2.gz MMDWVIWHIBQHMY-MNOVXSKESA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(C)CCN1CCOC2(CCC2)C1 334227106 166117271 /nfs/dbraw/zinc/11/72/71/166117271.db2.gz BECIDRQWKZKRLB-UHFFFAOYSA-N 0 3 195.306 2.208 10 30 AEEEHN C=C(C)CCN1C[C@@H](C)OC[C@H]1C 306511201 166117594 /nfs/dbraw/zinc/11/75/94/166117594.db2.gz MMDWVIWHIBQHMY-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(C)CN1CCC(C)(C#N)CC1 227351018 166119307 /nfs/dbraw/zinc/11/93/07/166119307.db2.gz VHILYQCNTDQWIE-UHFFFAOYSA-N 0 3 178.279 2.188 10 30 AEEEHN C=C(C)CNCc1cccc(C)n1 51753678 166122713 /nfs/dbraw/zinc/12/27/13/166122713.db2.gz FPEYBQNEJMNYCI-UHFFFAOYSA-N 0 3 176.263 2.056 10 30 AEEEHN C=C(C)CNCc1ccc(F)cc1 41582203 166122767 /nfs/dbraw/zinc/12/27/67/166122767.db2.gz FXTDEKJDNZBBQP-UHFFFAOYSA-N 0 3 179.238 2.491 10 30 AEEEHN C=C(C)CNCc1ccc(C)nc1 62053050 166122784 /nfs/dbraw/zinc/12/27/84/166122784.db2.gz GZJUQLVHVIAKCR-UHFFFAOYSA-N 0 3 176.263 2.056 10 30 AEEEHN C=C(C)CNCc1ccc(C)o1 53037303 166122806 /nfs/dbraw/zinc/12/28/06/166122806.db2.gz COPQQOOAGYSCQR-UHFFFAOYSA-N 0 3 165.236 2.254 10 30 AEEEHN C=C(C)COc1ccccc1CNC 37702427 166124394 /nfs/dbraw/zinc/12/43/94/166124394.db2.gz GQXQKXXAFSXWSN-UHFFFAOYSA-N 0 3 191.274 2.361 10 30 AEEEHN C=C(C)COc1ccccc1CN 37698963 166125212 /nfs/dbraw/zinc/12/52/12/166125212.db2.gz NCRZDKCNLDAAGL-UHFFFAOYSA-N 0 3 177.247 2.100 10 30 AEEEHN C=C(C)[C@@H]1NCCc2cc(O)ccc21 83660463 166128080 /nfs/dbraw/zinc/12/80/80/166128080.db2.gz GKEYBJCTQSRNCZ-LBPRGKRZSA-N 0 3 189.258 2.155 10 30 AEEEHN C=C(C)[C@@H]1NCCc2ccccc21 83695234 166128259 /nfs/dbraw/zinc/12/82/59/166128259.db2.gz QWTAMOAQWJEQBP-LBPRGKRZSA-N 0 3 173.259 2.450 10 30 AEEEHN C=C(C)[C@@H]1[NH2+]CCc2cccc([O-])c21 83660461 166128452 /nfs/dbraw/zinc/12/84/52/166128452.db2.gz PGMWAMFHBJAOPG-LBPRGKRZSA-N 0 3 189.258 2.155 10 30 AEEEHN C=C(C)[C@@H]1NCCc2c(O)cccc21 83703527 166128755 /nfs/dbraw/zinc/12/87/55/166128755.db2.gz GVOPIJFCQUDGMC-LBPRGKRZSA-N 0 3 189.258 2.155 10 30 AEEEHN C=C(C)[C@@H]1NCCc2ccc(O)cc21 83663850 166129012 /nfs/dbraw/zinc/12/90/12/166129012.db2.gz FOUVZCHBOFERSH-LBPRGKRZSA-N 0 3 189.258 2.155 10 30 AEEEHN C=C(C)[C@@H]1NCCc2ccc(N)cc21 75751856 166130146 /nfs/dbraw/zinc/13/01/46/166130146.db2.gz MAQGCTJXAAJGGT-LBPRGKRZSA-N 0 3 188.274 2.032 10 30 AEEEHN C=C(C)[C@H]1NCCc2cc(O)ccc21 83660462 166131733 /nfs/dbraw/zinc/13/17/33/166131733.db2.gz GKEYBJCTQSRNCZ-GFCCVEGCSA-N 0 3 189.258 2.155 10 30 AEEEHN C=C(C)[C@H]1NCCc2c(O)cccc21 83703526 166131978 /nfs/dbraw/zinc/13/19/78/166131978.db2.gz GVOPIJFCQUDGMC-GFCCVEGCSA-N 0 3 189.258 2.155 10 30 AEEEHN C=C(C)[C@H]1NCCc2ccc(N)cc21 75751854 166132391 /nfs/dbraw/zinc/13/23/91/166132391.db2.gz MAQGCTJXAAJGGT-GFCCVEGCSA-N 0 3 188.274 2.032 10 30 AEEEHN C=C(C)[C@H]1NCCc2ccc(O)cc21 83663849 166132527 /nfs/dbraw/zinc/13/25/27/166132527.db2.gz FOUVZCHBOFERSH-GFCCVEGCSA-N 0 3 189.258 2.155 10 30 AEEEHN C=C(C)[C@H]1NCCc2ccccc21 83695232 166133111 /nfs/dbraw/zinc/13/31/11/166133111.db2.gz QWTAMOAQWJEQBP-GFCCVEGCSA-N 0 3 173.259 2.450 10 30 AEEEHN C=C(C)[C@H]1[NH2+]CCc2cccc([O-])c21 83660460 166133283 /nfs/dbraw/zinc/13/32/83/166133283.db2.gz PGMWAMFHBJAOPG-GFCCVEGCSA-N 0 3 189.258 2.155 10 30 AEEEHN C=C(Cl)CNCC1CCC1 37681242 166135421 /nfs/dbraw/zinc/13/54/21/166135421.db2.gz VJBOJIVFXOBLLK-UHFFFAOYSA-N 0 3 159.660 2.129 10 30 AEEEHN C=C(Cl)CNCCC(C)C 37488710 166135477 /nfs/dbraw/zinc/13/54/77/166135477.db2.gz CGUDKIBYPNZDHY-UHFFFAOYSA-N 0 3 161.676 2.375 10 30 AEEEHN C=C(Cl)CN[C@H]1CC1(C)C 45119573 166135904 /nfs/dbraw/zinc/13/59/04/166135904.db2.gz FDOCTKGPVQVMAG-ZETCQYMHSA-N 0 3 159.660 2.127 10 30 AEEEHN C=C(Cl)COc1ccccc1CN 37698965 166136419 /nfs/dbraw/zinc/13/64/19/166136419.db2.gz XTJZCNAPUUDPBK-UHFFFAOYSA-N 0 3 197.665 2.277 10 30 AEEEHN C=C(Cl)CN[C@@H]1CC1(C)C 45119574 166136717 /nfs/dbraw/zinc/13/67/17/166136717.db2.gz FDOCTKGPVQVMAG-SSDOTTSWSA-N 0 3 159.660 2.127 10 30 AEEEHN C=C(Cl)CNCCCC 1684541 166137991 /nfs/dbraw/zinc/13/79/91/166137991.db2.gz HZPBLMKBIUVCOY-UHFFFAOYSA-N 0 3 147.649 2.129 10 30 AEEEHN C=C(Cl)N(CC)/C(C)=N/CC 100036130 166138850 /nfs/dbraw/zinc/13/88/50/166138850.db2.gz FGKDLTPOQSRCIM-CSKARUKUSA-N 0 3 174.675 2.457 10 30 AEEEHN C=CC(C)(C)[C@@]1(C)NCCS1 33872483 166161355 /nfs/dbraw/zinc/16/13/55/166161355.db2.gz CSVNZFYRAPLTAE-VIFPVBQESA-N 0 3 171.309 2.251 10 30 AEEEHN C=CC(C)(C)[C@]1(C)NCCS1 33872484 166161721 /nfs/dbraw/zinc/16/17/21/166161721.db2.gz CSVNZFYRAPLTAE-SECBINFHSA-N 0 3 171.309 2.251 10 30 AEEEHN C=CCCC[C@@]1(C)NCCS1 33872506 166166188 /nfs/dbraw/zinc/16/61/88/166166188.db2.gz YLHRPVQUUVBFOW-VIFPVBQESA-N 0 3 171.309 2.395 10 30 AEEEHN C=CCCNCC(=C)Br 75579474 166167744 /nfs/dbraw/zinc/16/77/44/166167744.db2.gz KYJVHUGSVWNOOA-UHFFFAOYSA-N 0 3 190.084 2.061 10 30 AEEEHN C=CCCC[C@]1(C)NCCS1 33872508 166168558 /nfs/dbraw/zinc/16/85/58/166168558.db2.gz YLHRPVQUUVBFOW-SECBINFHSA-N 0 3 171.309 2.395 10 30 AEEEHN C=CCN(C)C=C(C)C 100227049 166172704 /nfs/dbraw/zinc/17/27/04/166172704.db2.gz NXTSRRNFAIAHCM-UHFFFAOYSA-N 0 3 125.215 2.028 10 30 AEEEHN C=CCN1CCC[C@@H]1c1cccnc1 3638237 166175405 /nfs/dbraw/zinc/17/54/05/166175405.db2.gz CSYQMYZKFFZDIU-GFCCVEGCSA-N 0 3 188.274 2.405 10 30 AEEEHN C=CCN(CC=C)C[C@@](C)(C=O)CC 51176743 166175735 /nfs/dbraw/zinc/17/57/35/166175735.db2.gz XKFYJDYGQQFEOX-LBPRGKRZSA-N 0 3 195.306 2.276 10 30 AEEEHN C=CCN(CC=C)C[C@](C)(CC)CO 51293136 166176218 /nfs/dbraw/zinc/17/62/18/166176218.db2.gz IYUFSJFRKGPYDY-LBPRGKRZSA-N 0 3 197.322 2.069 10 30 AEEEHN C=CCN(CC=C)C[C@](C)(C=O)CC 51176744 166177249 /nfs/dbraw/zinc/17/72/49/166177249.db2.gz XKFYJDYGQQFEOX-GFCCVEGCSA-N 0 3 195.306 2.276 10 30 AEEEHN C=CCN(CC=C)C[C@@](C)(CC)CO 51293138 166177398 /nfs/dbraw/zinc/17/73/98/166177398.db2.gz IYUFSJFRKGPYDY-GFCCVEGCSA-N 0 3 197.322 2.069 10 30 AEEEHN C=CCN1CCC[C@H]1c1cccnc1 5420927 166178294 /nfs/dbraw/zinc/17/82/94/166178294.db2.gz CSYQMYZKFFZDIU-LBPRGKRZSA-N 0 3 188.274 2.405 10 30 AEEEHN C=CCN1CC[C@@H](C(F)(F)F)[C@@H]1C 307308297 166179362 /nfs/dbraw/zinc/17/93/62/166179362.db2.gz ZZTXPMVJZZXSBZ-JGVFFNPUSA-N 0 3 193.212 2.445 10 30 AEEEHN C=CCN1CC[C@H](C(F)(F)F)[C@H]1C 307308298 166180504 /nfs/dbraw/zinc/18/05/04/166180504.db2.gz ZZTXPMVJZZXSBZ-SFYZADRCSA-N 0 3 193.212 2.445 10 30 AEEEHN C=CCN1CC[C@H](C(F)(F)F)[C@@H]1C 307308299 166180545 /nfs/dbraw/zinc/18/05/45/166180545.db2.gz ZZTXPMVJZZXSBZ-YUMQZZPRSA-N 0 3 193.212 2.445 10 30 AEEEHN C=CCN1CC[C@@H](C(F)(F)F)[C@H]1C 307308296 166181086 /nfs/dbraw/zinc/18/10/86/166181086.db2.gz ZZTXPMVJZZXSBZ-HTQZYQBOSA-N 0 3 193.212 2.445 10 30 AEEEHN C=CCN1CCc2ccccc2C1 5382764 166181364 /nfs/dbraw/zinc/18/13/64/166181364.db2.gz CUPYWQCUYQLHOH-UHFFFAOYSA-N 0 3 173.259 2.231 10 30 AEEEHN C=CCNC/C=C\c1ccccc1 35535564 166185602 /nfs/dbraw/zinc/18/56/02/166185602.db2.gz MPYILWXWVRMLOH-TWGQIWQCSA-N 0 3 173.259 2.475 10 30 AEEEHN C=CCNCc1ccc2cc[nH]c2c1 83251110 166186595 /nfs/dbraw/zinc/18/65/95/166186595.db2.gz KOBYLGFGRFDCOA-UHFFFAOYSA-N 0 3 186.258 2.444 10 30 AEEEHN C=CCNCc1ccc(F)cc1C 50568995 166186770 /nfs/dbraw/zinc/18/67/70/166186770.db2.gz JXZCOBRMNUDSOS-UHFFFAOYSA-N 0 3 179.238 2.410 10 30 AEEEHN C=CCNCc1ccc(OC)c(F)c1 34938239 166186793 /nfs/dbraw/zinc/18/67/93/166186793.db2.gz HPDJSPDXFDCXPF-UHFFFAOYSA-N 0 3 195.237 2.110 10 30 AEEEHN C=CCNCc1ccc(OC)c(C)c1 35052526 166186904 /nfs/dbraw/zinc/18/69/04/166186904.db2.gz IAPCZSAAOIGGMO-UHFFFAOYSA-N 0 3 191.274 2.279 10 30 AEEEHN C=CCNCc1cc(F)ccc1C 83340413 166186912 /nfs/dbraw/zinc/18/69/12/166186912.db2.gz OPPDXDAOECZIHU-UHFFFAOYSA-N 0 3 179.238 2.410 10 30 AEEEHN C=CCNCc1ccc(F)c(C)c1 50544472 166187114 /nfs/dbraw/zinc/18/71/14/166187114.db2.gz ZOYFLBNNPRFBAL-UHFFFAOYSA-N 0 3 179.238 2.410 10 30 AEEEHN C=CCNCc1c[nH]c2ccccc12 48408781 166187546 /nfs/dbraw/zinc/18/75/46/166187546.db2.gz CYRSIULZGWQOEL-UHFFFAOYSA-N 0 3 186.258 2.444 10 30 AEEEHN C=CCNCCOc1ccc(C)cc1 41205301 166187682 /nfs/dbraw/zinc/18/76/82/166187682.db2.gz JGHNOERPJWGNDM-UHFFFAOYSA-N 0 3 191.274 2.149 10 30 AEEEHN C=CCNCCC(=O)c1ccccc1 49806432 166187773 /nfs/dbraw/zinc/18/77/73/166187773.db2.gz RLEFLVHPNYSQHW-UHFFFAOYSA-N 0 3 189.258 2.035 10 30 AEEEHN C=CCNCc1cc(F)cc(F)c1 83340765 166187801 /nfs/dbraw/zinc/18/78/01/166187801.db2.gz VTNUUBLQCYUVCF-UHFFFAOYSA-N 0 3 183.201 2.240 10 30 AEEEHN C=CCNCCOc1ccccc1C 41205297 166187805 /nfs/dbraw/zinc/18/78/05/166187805.db2.gz GQMYKSRHDCOAJR-UHFFFAOYSA-N 0 3 191.274 2.149 10 30 AEEEHN C=CCNCCOc1cccc(C)c1 41205299 166187901 /nfs/dbraw/zinc/18/79/01/166187901.db2.gz VGIQUAQLRFOYPD-UHFFFAOYSA-N 0 3 191.274 2.149 10 30 AEEEHN C=CCNCc1ccc2[nH]ccc2c1 83251087 166188038 /nfs/dbraw/zinc/18/80/38/166188038.db2.gz JIRSEEPRSMMDAN-UHFFFAOYSA-N 0 3 186.258 2.444 10 30 AEEEHN C=CCNCCC(=O)c1cccs1 49811544 166188166 /nfs/dbraw/zinc/18/81/66/166188166.db2.gz KDXBRGPMOXXUKE-UHFFFAOYSA-N 0 3 195.287 2.097 10 30 AEEEHN C=CCNCc1ccc(F)c(F)c1 19875735 166188242 /nfs/dbraw/zinc/18/82/42/166188242.db2.gz ZOFVMLGNAZBAGC-UHFFFAOYSA-N 0 3 183.201 2.240 10 30 AEEEHN C=CCNCc1cc(C)c(O)c(C)c1 20305178 166188411 /nfs/dbraw/zinc/18/84/11/166188411.db2.gz PBMACARPJBTWKN-UHFFFAOYSA-N 0 3 191.274 2.285 10 30 AEEEHN C=CC[NH2+][C@@H](C)c1ccccc1[O-] 19875811 166189262 /nfs/dbraw/zinc/18/92/62/166189262.db2.gz YRHFMMJRUSHULQ-VIFPVBQESA-N 0 3 177.247 2.229 10 30 AEEEHN C=CCN[C@@H](C)c1scnc1C 37185071 166189745 /nfs/dbraw/zinc/18/97/45/166189745.db2.gz UPMZSNYTGACYBR-ZETCQYMHSA-N 0 3 182.292 2.288 10 30 AEEEHN C=CCN[C@@H]1CCc2c(O)cccc21 16051857 166189767 /nfs/dbraw/zinc/18/97/67/166189767.db2.gz WSQBLRZPVQNDNT-LLVKDONJSA-N 0 3 189.258 2.155 10 30 AEEEHN C=CCN[C@@H](C)c1ccc(O)cc1 19875797 166190593 /nfs/dbraw/zinc/19/05/93/166190593.db2.gz RSQHVIXFUSDMQL-VIFPVBQESA-N 0 3 177.247 2.229 10 30 AEEEHN C=CCN[C@@H]1CCOc2ccccc21 19876026 166190846 /nfs/dbraw/zinc/19/08/46/166190846.db2.gz ZPEBYXYKQKANQU-LLVKDONJSA-N 0 3 189.258 2.286 10 30 AEEEHN C=CCN[C@H]1CCOc2ccccc21 19876027 166192310 /nfs/dbraw/zinc/19/23/10/166192310.db2.gz ZPEBYXYKQKANQU-NSHDSACASA-N 0 3 189.258 2.286 10 30 AEEEHN C=CCN[C@H](C)c1ccc(O)cc1 19875796 166192405 /nfs/dbraw/zinc/19/24/05/166192405.db2.gz RSQHVIXFUSDMQL-SECBINFHSA-N 0 3 177.247 2.229 10 30 AEEEHN C=CCN[C@H](C)c1scnc1C 37185070 166193029 /nfs/dbraw/zinc/19/30/29/166193029.db2.gz UPMZSNYTGACYBR-SSDOTTSWSA-N 0 3 182.292 2.288 10 30 AEEEHN C=CCN[C@H]1CCc2c(O)cccc21 36851789 166193051 /nfs/dbraw/zinc/19/30/51/166193051.db2.gz WSQBLRZPVQNDNT-NSHDSACASA-N 0 3 189.258 2.155 10 30 AEEEHN C=CCOc1cc(F)ccc1[C@H](C)N 62745386 166197310 /nfs/dbraw/zinc/19/73/10/166197310.db2.gz SKILDGQONBNEGN-QMMMGPOBSA-N 0 3 195.237 2.410 10 30 AEEEHN C=CCOc1cc(F)ccc1[C@@H](C)N 62745387 166197316 /nfs/dbraw/zinc/19/73/16/166197316.db2.gz SKILDGQONBNEGN-MRVPVSSYSA-N 0 3 195.237 2.410 10 30 AEEEHN C=CCOc1ccc(Cl)cc1CN 37700995 166197412 /nfs/dbraw/zinc/19/74/12/166197412.db2.gz FDALMMYRQFGSQG-UHFFFAOYSA-N 0 3 197.665 2.364 10 30 AEEEHN C=CC[C@@H](NC)c1ncccc1C 43616667 166199700 /nfs/dbraw/zinc/19/97/00/166199700.db2.gz TVPLDAQNGZLQEW-SNVBAGLBSA-N 0 3 176.263 2.227 10 30 AEEEHN C=CC[C@@H](NC)c1ccco1 54455993 166199965 /nfs/dbraw/zinc/19/99/65/166199965.db2.gz OWCSHWCCYQGHAG-MRVPVSSYSA-N 0 3 151.209 2.116 10 30 AEEEHN C=CC[C@@H](NCCC)c1cnccn1 42395994 166200512 /nfs/dbraw/zinc/20/05/12/166200512.db2.gz FRMOUJXLELSLKL-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN C=CC[C@@H](NCC)c1ccccn1 42395444 166200517 /nfs/dbraw/zinc/20/05/17/166200517.db2.gz XFZOELWQHDVSHS-SNVBAGLBSA-N 0 3 176.263 2.308 10 30 AEEEHN C=CC[C@@H]1C(=O)CC(C)(C)NC1(C)C 147746913 166200599 /nfs/dbraw/zinc/20/05/99/166200599.db2.gz UZDKBLYSBVXSIL-SECBINFHSA-N 0 3 195.306 2.298 10 30 AEEEHN C=CC[C@@H]1CCCC(C#N)C1=O 104836971 166202154 /nfs/dbraw/zinc/20/21/54/166202154.db2.gz CTRAZQYLYBQBRI-RKDXNWHRSA-N 0 3 163.220 2.071 10 30 AEEEHN C=CC[C@@H]1CCCC(C#N)C1=O 104836976 166202422 /nfs/dbraw/zinc/20/24/22/166202422.db2.gz CTRAZQYLYBQBRI-BDAKNGLRSA-N 0 3 163.220 2.071 10 30 AEEEHN C=CC[C@H](NC)c1ccco1 54455992 166203538 /nfs/dbraw/zinc/20/35/38/166203538.db2.gz OWCSHWCCYQGHAG-QMMMGPOBSA-N 0 3 151.209 2.116 10 30 AEEEHN C=CC[C@H](NCCC)c1cnccn1 42395991 166203569 /nfs/dbraw/zinc/20/35/69/166203569.db2.gz FRMOUJXLELSLKL-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=CC[C@H](N)c1nc(C)c(C)s1 83340745 166203752 /nfs/dbraw/zinc/20/37/52/166203752.db2.gz FFKOGYCVBQTRFW-QMMMGPOBSA-N 0 3 182.292 2.336 10 30 AEEEHN C=CC[C@H](N)c1nc2c(s1)CCC2 83342192 166203844 /nfs/dbraw/zinc/20/38/44/166203844.db2.gz GRGGYHYLVKVFRR-ZETCQYMHSA-N 0 3 194.303 2.208 10 30 AEEEHN C=CC[C@H](NC)c1ncccc1C 43616669 166203998 /nfs/dbraw/zinc/20/39/98/166203998.db2.gz TVPLDAQNGZLQEW-JTQLQIEISA-N 0 3 176.263 2.227 10 30 AEEEHN C=CC[C@H](NCC)c1ccccn1 42395441 166204001 /nfs/dbraw/zinc/20/40/01/166204001.db2.gz XFZOELWQHDVSHS-JTQLQIEISA-N 0 3 176.263 2.308 10 30 AEEEHN C=CC[C@H](N)c1nc(C)cs1 83339934 166204068 /nfs/dbraw/zinc/20/40/68/166204068.db2.gz DAUGOCWJQZXLIE-ZETCQYMHSA-N 0 3 168.265 2.027 10 30 AEEEHN C=CC[C@H]1C(=O)CC(C)(C)NC1(C)C 147746692 166204793 /nfs/dbraw/zinc/20/47/93/166204793.db2.gz UZDKBLYSBVXSIL-VIFPVBQESA-N 0 3 195.306 2.298 10 30 AEEEHN C=CC[C@H]1CCCC(C#N)C1=O 104836978 166205858 /nfs/dbraw/zinc/20/58/58/166205858.db2.gz CTRAZQYLYBQBRI-IUCAKERBSA-N 0 3 163.220 2.071 10 30 AEEEHN C=CC[C@H]1CCCC(C#N)C1=O 104836974 166206097 /nfs/dbraw/zinc/20/60/97/166206097.db2.gz CTRAZQYLYBQBRI-DTWKUNHWSA-N 0 3 163.220 2.071 10 30 AEEEHN C=CCn1c(C)nc(C(C)(C)C)c1N 105025195 166208090 /nfs/dbraw/zinc/20/80/90/166208090.db2.gz VBWZOQQVCBUNNA-UHFFFAOYSA-N 0 3 193.294 2.257 10 30 AEEEHN C=CCn1c(C(C)C)nc(C)c1N 105025393 166208101 /nfs/dbraw/zinc/20/81/01/166208101.db2.gz DUDQPBBCNRVMJS-UHFFFAOYSA-N 0 3 179.267 2.083 10 30 AEEEHN C=CCn1c(C)nc(C(C)C)c1N 105025192 166208246 /nfs/dbraw/zinc/20/82/46/166208246.db2.gz SIVJFFSQVDPTHW-UHFFFAOYSA-N 0 3 179.267 2.083 10 30 AEEEHN C=C[C@@H](C)Oc1ccccc1CN 52140855 166213001 /nfs/dbraw/zinc/21/30/01/166213001.db2.gz FCXHOGOGTUTCCM-SECBINFHSA-N 0 3 177.247 2.099 10 30 AEEEHN C=C[C@@H]1NCCc2c1ccc(C)c2O 75687719 166215455 /nfs/dbraw/zinc/21/54/55/166215455.db2.gz CKQZRXMSZJIKFC-NSHDSACASA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@@H]1NCCc2ccccc21 41167537 166215472 /nfs/dbraw/zinc/21/54/72/166215472.db2.gz ROMVMOKXJYFQDC-NSHDSACASA-N 0 3 159.232 2.059 10 30 AEEEHN C=C[C@@H]1NCCc2cccc(C)c21 75640622 166215662 /nfs/dbraw/zinc/21/56/62/166215662.db2.gz VRHMSUWKOVVGBT-NSHDSACASA-N 0 3 173.259 2.368 10 30 AEEEHN C=C[C@@H]1NCCc2ccc(F)cc21 83664446 166215677 /nfs/dbraw/zinc/21/56/77/166215677.db2.gz FNKUTIHBAFFKFZ-NSHDSACASA-N 0 3 177.222 2.199 10 30 AEEEHN C=C[C@@H]1NCCc2cc(F)ccc21 83730020 166215722 /nfs/dbraw/zinc/21/57/22/166215722.db2.gz URVBJEAKZMYYSB-NSHDSACASA-N 0 3 177.222 2.199 10 30 AEEEHN C=C[C@@H]1NCCc2c(O)ccc(C)c21 75700561 166215761 /nfs/dbraw/zinc/21/57/61/166215761.db2.gz QBKQDAARUNTDSB-JTQLQIEISA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@@H]1NCCc2c(C)cccc21 83731605 166215831 /nfs/dbraw/zinc/21/58/31/166215831.db2.gz NKXLJWFCPCWJAP-LBPRGKRZSA-N 0 3 173.259 2.368 10 30 AEEEHN C=C[C@@H]1NCCc2c(O)cc(C)cc21 75706488 166216000 /nfs/dbraw/zinc/21/60/00/166216000.db2.gz QSZPZAJACUKABB-NSHDSACASA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@@H]1NCCc2cc(C)c(O)cc21 75798765 166216031 /nfs/dbraw/zinc/21/60/31/166216031.db2.gz IEKJRWBFKHBJDG-NSHDSACASA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@@H]1NCCc2ccc(C)cc21 83661886 166216042 /nfs/dbraw/zinc/21/60/42/166216042.db2.gz XNOUTZBKMQHNDF-LBPRGKRZSA-N 0 3 173.259 2.368 10 30 AEEEHN C=C[C@@H]1NCCc2ccc(O)c(C)c21 75798763 166216052 /nfs/dbraw/zinc/21/60/52/166216052.db2.gz VVEHRQXEHGVUJM-JTQLQIEISA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@@H]1NCCc2cc(C)ccc21 75640627 166216154 /nfs/dbraw/zinc/21/61/54/166216154.db2.gz XAFDAFPRPLEKRI-LBPRGKRZSA-N 0 3 173.259 2.368 10 30 AEEEHN C=C[C@@H]1NCCc2c(F)cccc21 83665014 166216160 /nfs/dbraw/zinc/21/61/60/166216160.db2.gz NYGBAFJPKWXYBF-NSHDSACASA-N 0 3 177.222 2.199 10 30 AEEEHN C=C[C@@H]1NCCc2c(OC)cccc21 83665792 166216182 /nfs/dbraw/zinc/21/61/82/166216182.db2.gz HAZFAJGETLDAPT-NSHDSACASA-N 0 3 189.258 2.068 10 30 AEEEHN C=C[C@@H]1NCCc2cc(OC)ccc21 83666446 166216220 /nfs/dbraw/zinc/21/62/20/166216220.db2.gz MWAODMKSNJXCSE-LBPRGKRZSA-N 0 3 189.258 2.068 10 30 AEEEHN C=C[C@@H]1NCCc2ccc(OC)cc21 83696569 166216318 /nfs/dbraw/zinc/21/63/18/166216318.db2.gz YMNSNSUJFNGEEI-LBPRGKRZSA-N 0 3 189.258 2.068 10 30 AEEEHN C=C[C@H](C)Oc1ccccc1CN 52140854 166217691 /nfs/dbraw/zinc/21/76/91/166217691.db2.gz FCXHOGOGTUTCCM-VIFPVBQESA-N 0 3 177.247 2.099 10 30 AEEEHN C=C[C@H]1NCCc2c(F)cccc21 83665013 166220414 /nfs/dbraw/zinc/22/04/14/166220414.db2.gz NYGBAFJPKWXYBF-LLVKDONJSA-N 0 3 177.222 2.199 10 30 AEEEHN C=C[C@H]1NCCc2ccccc21 41167535 166220745 /nfs/dbraw/zinc/22/07/45/166220745.db2.gz ROMVMOKXJYFQDC-LLVKDONJSA-N 0 3 159.232 2.059 10 30 AEEEHN C=C[C@H]1NCCc2ccc(C)cc21 83661887 166220901 /nfs/dbraw/zinc/22/09/01/166220901.db2.gz XNOUTZBKMQHNDF-GFCCVEGCSA-N 0 3 173.259 2.368 10 30 AEEEHN C=C[C@H]1NCCc2ccc(O)c(C)c21 75798764 166220909 /nfs/dbraw/zinc/22/09/09/166220909.db2.gz VVEHRQXEHGVUJM-SNVBAGLBSA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@H]1NCCc2cc(F)ccc21 83730018 166221017 /nfs/dbraw/zinc/22/10/17/166221017.db2.gz URVBJEAKZMYYSB-LLVKDONJSA-N 0 3 177.222 2.199 10 30 AEEEHN C=C[C@H]1NCCc2cc(OC)ccc21 83666445 166221035 /nfs/dbraw/zinc/22/10/35/166221035.db2.gz MWAODMKSNJXCSE-GFCCVEGCSA-N 0 3 189.258 2.068 10 30 AEEEHN C=C[C@H]1NCCc2c1ccc(C)c2O 75687717 166221046 /nfs/dbraw/zinc/22/10/46/166221046.db2.gz CKQZRXMSZJIKFC-LLVKDONJSA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@H]1NCCc2c(O)ccc(C)c21 75700570 166221052 /nfs/dbraw/zinc/22/10/52/166221052.db2.gz QBKQDAARUNTDSB-SNVBAGLBSA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@H]1NCCc2c(O)cc(C)cc21 75706486 166221067 /nfs/dbraw/zinc/22/10/67/166221067.db2.gz QSZPZAJACUKABB-LLVKDONJSA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@H]1NCCc2cc(C)c(O)cc21 75798766 166221073 /nfs/dbraw/zinc/22/10/73/166221073.db2.gz IEKJRWBFKHBJDG-LLVKDONJSA-N 0 3 189.258 2.073 10 30 AEEEHN C=C[C@H]1NCCc2cc(C)ccc21 75640625 166221082 /nfs/dbraw/zinc/22/10/82/166221082.db2.gz XAFDAFPRPLEKRI-GFCCVEGCSA-N 0 3 173.259 2.368 10 30 AEEEHN C=C[C@H]1NCCc2c(OC)cccc21 83665791 166221096 /nfs/dbraw/zinc/22/10/96/166221096.db2.gz HAZFAJGETLDAPT-LLVKDONJSA-N 0 3 189.258 2.068 10 30 AEEEHN C=C[C@H]1NCCc2cccc(C)c21 75640623 166221103 /nfs/dbraw/zinc/22/11/03/166221103.db2.gz VRHMSUWKOVVGBT-LLVKDONJSA-N 0 3 173.259 2.368 10 30 AEEEHN C=C[C@H]1NCCc2ccc(F)cc21 83664445 166221181 /nfs/dbraw/zinc/22/11/81/166221181.db2.gz FNKUTIHBAFFKFZ-LLVKDONJSA-N 0 3 177.222 2.199 10 30 AEEEHN C=C[C@H]1NCCc2c(C)cccc21 83731603 166221188 /nfs/dbraw/zinc/22/11/88/166221188.db2.gz NKXLJWFCPCWJAP-GFCCVEGCSA-N 0 3 173.259 2.368 10 30 AEEEHN C=C[C@H]1NCCc2ccc(OC)cc21 83696573 166221219 /nfs/dbraw/zinc/22/12/19/166221219.db2.gz YMNSNSUJFNGEEI-GFCCVEGCSA-N 0 3 189.258 2.068 10 30 AEEEHN C=C[C@](C)(NC)c1ccccc1 75545096 166221821 /nfs/dbraw/zinc/22/18/21/166221821.db2.gz PAHAPRQBGAGORZ-NSHDSACASA-N 0 3 161.248 2.307 10 30 AEEEHN CC#CC[C@H](NC)c1cccs1 51665035 166228945 /nfs/dbraw/zinc/22/89/45/166228945.db2.gz SUQCPNIIGFLQHC-VIFPVBQESA-N 0 3 179.288 2.422 10 30 AEEEHN CC#CC[C@H](NCC)c1ccncc1 51665271 166228948 /nfs/dbraw/zinc/22/89/48/166228948.db2.gz AQUFRRQAPCELTQ-LBPRGKRZSA-N 0 3 188.274 2.146 10 30 AEEEHN CC#CC[C@H](NCC)c1cccnc1 51665261 166228955 /nfs/dbraw/zinc/22/89/55/166228955.db2.gz GLKLOPMWPNEPGL-LBPRGKRZSA-N 0 3 188.274 2.146 10 30 AEEEHN CC#CC[C@H](NC)c1ccc(F)cc1 51664995 166229002 /nfs/dbraw/zinc/22/90/02/166229002.db2.gz LNIBPRGPNRXJSL-LBPRGKRZSA-N 0 3 191.249 2.500 10 30 AEEEHN CC#CC[C@H](NC)c1cccc(F)c1 51665008 166229007 /nfs/dbraw/zinc/22/90/07/166229007.db2.gz UZGCDCVFUOVBCR-LBPRGKRZSA-N 0 3 191.249 2.500 10 30 AEEEHN CC#CC[C@H](NC)c1ncccc1C 51665830 166229014 /nfs/dbraw/zinc/22/90/14/166229014.db2.gz DUVWDMCWNFAYBI-NSHDSACASA-N 0 3 188.274 2.064 10 30 AEEEHN CC#CC[C@H](NC)c1ccsc1 51665277 166229042 /nfs/dbraw/zinc/22/90/42/166229042.db2.gz AYKQAJMODZXLJR-JTQLQIEISA-N 0 3 179.288 2.422 10 30 AEEEHN CC#CC[C@H](NCC)c1ccccn1 51665251 166229056 /nfs/dbraw/zinc/22/90/56/166229056.db2.gz HAESGXAULLFPCY-NSHDSACASA-N 0 3 188.274 2.146 10 30 AEEEHN CC(=O)C1=CC(C)(C)C=CC1=N 39071385 166236906 /nfs/dbraw/zinc/23/69/06/166236906.db2.gz ZSJLPOVQIGBEAG-UHFFFAOYSA-N 0 3 163.220 2.118 10 30 AEEEHN CC(C)(C#N)CN1CCCCCC1 49805649 166341627 /nfs/dbraw/zinc/34/16/27/166341627.db2.gz HYPAZBJONOVAOS-UHFFFAOYSA-N 0 3 180.295 2.412 10 30 AEEEHN CC(C)(C#N)CN[C@@H]1CCCSC1 164684192 166341685 /nfs/dbraw/zinc/34/16/85/166341685.db2.gz XCFDSEBPDDKCJM-SECBINFHSA-N 0 3 198.335 2.021 10 30 AEEEHN CC(C)(C#N)CN[C@H]1CCCSC1 164684292 166342048 /nfs/dbraw/zinc/34/20/48/166342048.db2.gz XCFDSEBPDDKCJM-VIFPVBQESA-N 0 3 198.335 2.021 10 30 AEEEHN CC(C)(C)[N+](=O)Cc1ccccc1[O-] 5379463 166343693 /nfs/dbraw/zinc/34/36/93/166343693.db2.gz HGLLGCIZHHMQDE-WQLSENKSSA-N 0 3 193.246 2.120 10 30 AEEEHN CC(C)(C)C1CCN(C[C@H]2CO2)CC1 50346908 166348463 /nfs/dbraw/zinc/34/84/63/166348463.db2.gz KPBJNIBDRSLLMA-NSHDSACASA-N 0 3 197.322 2.143 10 30 AEEEHN CC(C)(C)C1CCN(C[C@@H]2CO2)CC1 50346905 166350019 /nfs/dbraw/zinc/35/00/19/166350019.db2.gz KPBJNIBDRSLLMA-LLVKDONJSA-N 0 3 197.322 2.143 10 30 AEEEHN CC(C)(C)CN[C@H]1CCC[C@@H]1C#N 54826098 166352881 /nfs/dbraw/zinc/35/28/81/166352881.db2.gz APIPBPSYBLONFS-ZJUUUORDSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)(C)CN[C@@H]1CCC[C@@H]1C#N 54826097 166353290 /nfs/dbraw/zinc/35/32/90/166353290.db2.gz APIPBPSYBLONFS-NXEZZACHSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)(C)CN[C@H]1CCC[C@H]1C#N 54826100 166353988 /nfs/dbraw/zinc/35/39/88/166353988.db2.gz APIPBPSYBLONFS-UWVGGRQHSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)(C)CN[C@@H]1CCC[C@H]1C#N 54826099 166354935 /nfs/dbraw/zinc/35/49/35/166354935.db2.gz APIPBPSYBLONFS-VHSXEESVSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)(C)[N@@H+]1CCC[C@@H]([S-])C1 73653557 166359317 /nfs/dbraw/zinc/35/93/17/166359317.db2.gz ASYIJBCENBBJPF-MRVPVSSYSA-N 0 3 173.325 2.179 10 30 AEEEHN CC(C)(C)[N@H+]1CCC[C@@H]([S-])C1 73653557 166359319 /nfs/dbraw/zinc/35/93/19/166359319.db2.gz ASYIJBCENBBJPF-MRVPVSSYSA-N 0 3 173.325 2.179 10 30 AEEEHN CC(C)(C)[N@@H+]1CCC[C@H]([S-])C1 73653553 166359388 /nfs/dbraw/zinc/35/93/88/166359388.db2.gz ASYIJBCENBBJPF-QMMMGPOBSA-N 0 3 173.325 2.179 10 30 AEEEHN CC(C)(C)[N@H+]1CCC[C@H]([S-])C1 73653553 166359389 /nfs/dbraw/zinc/35/93/89/166359389.db2.gz ASYIJBCENBBJPF-QMMMGPOBSA-N 0 3 173.325 2.179 10 30 AEEEHN CC(C)(C)N[C@H]1CCC[C@@H]1C#N 54824450 166364846 /nfs/dbraw/zinc/36/48/46/166364846.db2.gz XGAROVMOKSXDKQ-BDAKNGLRSA-N 0 3 166.268 2.067 10 30 AEEEHN CC(C)(C)N[C@H]1CCCC[C@@H]1C#N 54824454 166365101 /nfs/dbraw/zinc/36/51/01/166365101.db2.gz LLGVZWNYTGMDKQ-ZJUUUORDSA-N 0 3 180.295 2.457 10 30 AEEEHN CC(C)(C)N[C@@H]1CCCC[C@H]1C#N 54824455 166365202 /nfs/dbraw/zinc/36/52/02/166365202.db2.gz LLGVZWNYTGMDKQ-VHSXEESVSA-N 0 3 180.295 2.457 10 30 AEEEHN CC(C)(C)N[C@@H]1CCCC[C@@H]1C#N 54824453 166365353 /nfs/dbraw/zinc/36/53/53/166365353.db2.gz LLGVZWNYTGMDKQ-NXEZZACHSA-N 0 3 180.295 2.457 10 30 AEEEHN CC(C)(C)NCc1ccccc1C#N 20056750 166365485 /nfs/dbraw/zinc/36/54/85/166365485.db2.gz HQAZMYJXGHFPQS-UHFFFAOYSA-N 0 3 188.274 2.446 10 30 AEEEHN CC(C)(C)N[C@H]1CCCC[C@H]1C#N 54824456 166366017 /nfs/dbraw/zinc/36/60/17/166366017.db2.gz LLGVZWNYTGMDKQ-UWVGGRQHSA-N 0 3 180.295 2.457 10 30 AEEEHN CC(C)(C)N[C@H]1CCC[C@H]1C#N 54824452 166366600 /nfs/dbraw/zinc/36/66/00/166366600.db2.gz XGAROVMOKSXDKQ-IUCAKERBSA-N 0 3 166.268 2.067 10 30 AEEEHN CC(C)(C)N[C@@H]1CCC[C@@H]1C#N 54824449 166366809 /nfs/dbraw/zinc/36/68/09/166366809.db2.gz XGAROVMOKSXDKQ-RKDXNWHRSA-N 0 3 166.268 2.067 10 30 AEEEHN CC(C)(C)N[C@@H]1CCC[C@H]1C#N 54824451 166366996 /nfs/dbraw/zinc/36/69/96/166366996.db2.gz XGAROVMOKSXDKQ-DTWKUNHWSA-N 0 3 166.268 2.067 10 30 AEEEHN CC(C)(C)c1ccc(C#CCN)cc1 37471020 166384100 /nfs/dbraw/zinc/38/41/00/166384100.db2.gz FKRIXRXEVJHXQF-UHFFFAOYSA-N 0 3 187.286 2.294 10 30 AEEEHN CC(C)CC(C#N)C(=O)[C@@H]1C[C@@H]1C 43374851 166480423 /nfs/dbraw/zinc/48/04/23/166480423.db2.gz LGQFUMRSAGLCEW-LPEHRKFASA-N 0 3 179.263 2.397 10 30 AEEEHN CC(C)N[C@H]1CCCC[C@@H]1C#N 54822672 166549415 /nfs/dbraw/zinc/54/94/15/166549415.db2.gz CQOPQAXOPGLODQ-ZJUUUORDSA-N 0 3 166.268 2.067 10 30 AEEEHN CCC(CC)N[C@H]1CCC[C@@H]1C#N 54822876 166798909 /nfs/dbraw/zinc/79/89/09/166798909.db2.gz GNTRBDQHPPBIMI-KOLCDFICSA-N 0 3 180.295 2.457 10 30 AEEEHN CCCCN[C@@H]1CCCC[C@H]1C#N 54823395 166901352 /nfs/dbraw/zinc/90/13/52/166901352.db2.gz GLAQIJOCGQARTC-WDEREUQCSA-N 0 3 180.295 2.458 10 30 AEEEHN CCCN(C)[C@@H]1CCCC[C@@H]1C#N 37147162 166943851 /nfs/dbraw/zinc/94/38/51/166943851.db2.gz FKSRYHMBKDACDU-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CCCN[C@H]1CCCC[C@H]1C#N 54824432 167002404 /nfs/dbraw/zinc/00/24/04/167002404.db2.gz KHSQLGHNJHYFTE-UWVGGRQHSA-N 0 3 166.268 2.068 10 30 AEEEHN CCCN[C@H]1CCCCC[C@H]1C#N 54824436 167003620 /nfs/dbraw/zinc/00/36/20/167003620.db2.gz RWNWKWGYMRJKIR-QWRGUYRKSA-N 0 3 180.295 2.458 10 30 AEEEHN CCCN[C@H]1CCCCC[C@@H]1C#N 54824434 167004073 /nfs/dbraw/zinc/00/40/73/167004073.db2.gz RWNWKWGYMRJKIR-MNOVXSKESA-N 0 3 180.295 2.458 10 30 AEEEHN CCCN[C@H]1CCCC[C@@H]1C#N 54824430 167004115 /nfs/dbraw/zinc/00/41/15/167004115.db2.gz KHSQLGHNJHYFTE-ZJUUUORDSA-N 0 3 166.268 2.068 10 30 AEEEHN CCC[C@@H](CC)NC[C@H](C)C#N 50404109 167041091 /nfs/dbraw/zinc/04/10/91/167041091.db2.gz BPGZEQMNOHSQEK-NXEZZACHSA-N 0 3 168.284 2.314 10 30 AEEEHN CCC[C@@H](CC)N[C@@H](C)CC#N 50404269 167041115 /nfs/dbraw/zinc/04/11/15/167041115.db2.gz ZAMPCWUIKWTPIM-VHSXEESVSA-N 0 3 168.284 2.457 10 30 AEEEHN CCC[C@@H](CC)NC[C@@H](C)C#N 50404105 167041493 /nfs/dbraw/zinc/04/14/93/167041493.db2.gz BPGZEQMNOHSQEK-VHSXEESVSA-N 0 3 168.284 2.314 10 30 AEEEHN CCC[C@@H](CC)N[C@H](C)CC#N 50404273 167041949 /nfs/dbraw/zinc/04/19/49/167041949.db2.gz ZAMPCWUIKWTPIM-NXEZZACHSA-N 0 3 168.284 2.457 10 30 AEEEHN CCC[C@@H](CC)NCCC#N 50404535 167042398 /nfs/dbraw/zinc/04/23/98/167042398.db2.gz XWNDVQXBAPLIBI-SECBINFHSA-N 0 3 154.257 2.068 10 30 AEEEHN CCC[C@@H](N)c1ccccc1C#N 95777801 167046755 /nfs/dbraw/zinc/04/67/55/167046755.db2.gz VOZMGQHGJGSDSM-LLVKDONJSA-N 0 3 174.247 2.358 10 30 AEEEHN CCC[C@H](CC)N[C@H](C)CC#N 50404275 167075452 /nfs/dbraw/zinc/07/54/52/167075452.db2.gz ZAMPCWUIKWTPIM-ZJUUUORDSA-N 0 3 168.284 2.457 10 30 AEEEHN CCC[C@H](CC)N[C@@H](C)CC#N 50404271 167075843 /nfs/dbraw/zinc/07/58/43/167075843.db2.gz ZAMPCWUIKWTPIM-UWVGGRQHSA-N 0 3 168.284 2.457 10 30 AEEEHN CCC[C@H](CC)NC[C@@H](C)C#N 50404107 167076502 /nfs/dbraw/zinc/07/65/02/167076502.db2.gz BPGZEQMNOHSQEK-UWVGGRQHSA-N 0 3 168.284 2.314 10 30 AEEEHN CCC[C@H](CC)NC[C@H](C)C#N 50404112 167076544 /nfs/dbraw/zinc/07/65/44/167076544.db2.gz BPGZEQMNOHSQEK-ZJUUUORDSA-N 0 3 168.284 2.314 10 30 AEEEHN CCC[C@H](CC)NCCC#N 50404537 167077178 /nfs/dbraw/zinc/07/71/78/167077178.db2.gz XWNDVQXBAPLIBI-VIFPVBQESA-N 0 3 154.257 2.068 10 30 AEEEHN C#C[C@H](C)N[C@H](C)c1ccc(F)cc1 134038620 343932137 /nfs/dbraw/zinc/93/21/37/343932137.db2.gz SCNZGUCGNQQGMG-VHSXEESVSA-N 0 3 191.249 2.498 10 30 AEEEHN CCN(C(C)C)[C@H]1CCC[C@@H]1C#N 37147033 167129418 /nfs/dbraw/zinc/12/94/18/167129418.db2.gz SRGQTLZBMKHMAS-MNOVXSKESA-N 0 3 180.295 2.409 10 30 AEEEHN CCN(C(C)C)[C@H](C)CC#N 48246684 167129572 /nfs/dbraw/zinc/12/95/72/167129572.db2.gz RFOLHQOHCMIEMA-SECBINFHSA-N 0 3 154.257 2.019 10 30 AEEEHN CCN(C(C)C)[C@@H](C)CC#N 48246681 167130340 /nfs/dbraw/zinc/13/03/40/167130340.db2.gz RFOLHQOHCMIEMA-VIFPVBQESA-N 0 3 154.257 2.019 10 30 AEEEHN CCN(C(C)C)[C@@H]1CCC[C@@H]1C#N 37147032 167131584 /nfs/dbraw/zinc/13/15/84/167131584.db2.gz SRGQTLZBMKHMAS-GHMZBOCLSA-N 0 3 180.295 2.409 10 30 AEEEHN CCN(C)Cc1ccc(C#N)c(F)c1 334662819 167143584 /nfs/dbraw/zinc/14/35/84/167143584.db2.gz RVGYXSWVYRJDKD-UHFFFAOYSA-N 0 3 192.237 2.149 10 30 AEEEHN CCN(C)Cc1cc(C#N)cs1 306476624 167146138 /nfs/dbraw/zinc/14/61/38/167146138.db2.gz JEUUMLAIPFOLDZ-UHFFFAOYSA-N 0 3 180.276 2.071 10 30 AEEEHN CCN(C)[C@@H]1CCCCC[C@@H]1C#N 37146954 167146713 /nfs/dbraw/zinc/14/67/13/167146713.db2.gz AVQSDKCFBKPJSY-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(C)Cc1ccc(C#N)c(C)c1 335293191 167147545 /nfs/dbraw/zinc/14/75/45/167147545.db2.gz OMTZYASHZAGERF-UHFFFAOYSA-N 0 3 188.274 2.318 10 30 AEEEHN CCN(C)[C@H]1CCCCC[C@@H]1C#N 37146955 167151189 /nfs/dbraw/zinc/15/11/89/167151189.db2.gz AVQSDKCFBKPJSY-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CC)[C@@H]1CCCC[C@@H]1C#N 37145677 167172916 /nfs/dbraw/zinc/17/29/16/167172916.db2.gz SDPXMMOHIJEVAL-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CC)[C@H]1CCCC[C@H]1C#N 37145680 167172984 /nfs/dbraw/zinc/17/29/84/167172984.db2.gz SDPXMMOHIJEVAL-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CC)[C@@H]1CCCC[C@H]1C#N 37145679 167173356 /nfs/dbraw/zinc/17/33/56/167173356.db2.gz SDPXMMOHIJEVAL-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CC)[C@@H]1CCC[C@H]1C#N 37145675 167173531 /nfs/dbraw/zinc/17/35/31/167173531.db2.gz ZDXFNPCQDUFFPH-VHSXEESVSA-N 0 3 166.268 2.020 10 30 AEEEHN CCN(CC)[C@@H]1CCC[C@@H]1C#N 37145673 167173758 /nfs/dbraw/zinc/17/37/58/167173758.db2.gz ZDXFNPCQDUFFPH-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN CCN(CC)[C@H]1CCC[C@H]1C#N 37145676 167174490 /nfs/dbraw/zinc/17/44/90/167174490.db2.gz ZDXFNPCQDUFFPH-UWVGGRQHSA-N 0 3 166.268 2.020 10 30 AEEEHN CCN(CC)[C@H]1CCC[C@@H]1C#N 37145674 167174511 /nfs/dbraw/zinc/17/45/11/167174511.db2.gz ZDXFNPCQDUFFPH-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN CCN(CC)[C@H]1CCCC[C@@H]1C#N 37145678 167174569 /nfs/dbraw/zinc/17/45/69/167174569.db2.gz SDPXMMOHIJEVAL-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CCN(CCC#N)C(C)(C)C 18684725 167177562 /nfs/dbraw/zinc/17/75/62/167177562.db2.gz PCYZWHMOSQKBMC-UHFFFAOYSA-N 0 3 154.257 2.020 10 30 AEEEHN CCN[C@@H]1CCCCC[C@@H]1C#N 54822687 167290779 /nfs/dbraw/zinc/29/07/79/167290779.db2.gz ZPLBFFORQBJBPB-NXEZZACHSA-N 0 3 166.268 2.068 10 30 AEEEHN CCN[C@@H]1CCCCC[C@H]1C#N 54822689 167292056 /nfs/dbraw/zinc/29/20/56/167292056.db2.gz ZPLBFFORQBJBPB-VHSXEESVSA-N 0 3 166.268 2.068 10 30 AEEEHN CCN[C@H]1CCCCC[C@H]1C#N 54822690 167301845 /nfs/dbraw/zinc/30/18/45/167301845.db2.gz ZPLBFFORQBJBPB-UWVGGRQHSA-N 0 3 166.268 2.068 10 30 AEEEHN CCN[C@H]1CCCCC[C@@H]1C#N 54822688 167302473 /nfs/dbraw/zinc/30/24/73/167302473.db2.gz ZPLBFFORQBJBPB-ZJUUUORDSA-N 0 3 166.268 2.068 10 30 AEEEHN CC#CC[C@H](N)c1ncccc1CC 134618440 343947352 /nfs/dbraw/zinc/94/73/52/343947352.db2.gz FNGULUJSZWOSCQ-NSHDSACASA-N 0 3 188.274 2.057 10 30 AEEEHN C=C(C)[C@H](N)c1ncccc1CC 134617876 343947381 /nfs/dbraw/zinc/94/73/81/343947381.db2.gz ULWVLDNXHAIXOE-JTQLQIEISA-N 0 3 176.263 2.220 10 30 AEEEHN CCN[C@H](C)c1ccc(C#N)cc1F 134739256 343949238 /nfs/dbraw/zinc/94/92/38/343949238.db2.gz XLMWAIUQCLHRIW-MRVPVSSYSA-N 0 3 192.237 2.368 10 30 AEEEHN CC[C@H](CC#N)NC(C1CC1)C1CC1 49234940 167639682 /nfs/dbraw/zinc/63/96/82/167639682.db2.gz IMZORHPLKVSWMC-LLVKDONJSA-N 0 3 192.306 2.457 10 30 AEEEHN C[NH+](C)C(C)(C)C(C)(C)[S-] 39081479 167827707 /nfs/dbraw/zinc/82/77/07/167827707.db2.gz QEIKUFLYITUFFS-UHFFFAOYSA-N 0 3 161.314 2.035 10 30 AEEEHN CC(C)=CC(=O)[C@H]1CCCCCN1 135420517 343962408 /nfs/dbraw/zinc/96/24/08/343962408.db2.gz RDDXSSAKUQLAQB-SNVBAGLBSA-N 0 3 181.279 2.054 10 30 AEEEHN CC(C)[C@@H](C)NCc1ccc(C#N)o1 135481004 343964105 /nfs/dbraw/zinc/96/41/05/343964105.db2.gz PTIBWEKETJMRGY-SECBINFHSA-N 0 3 192.262 2.285 10 30 AEEEHN CC1(C)C[C@H]1NCc1ccc(C#N)o1 135482627 343964125 /nfs/dbraw/zinc/96/41/25/343964125.db2.gz YSNKXUAZWMCBHM-SNVBAGLBSA-N 0 3 190.246 2.039 10 30 AEEEHN CC[C@H](C)NCc1ccc(C#N)o1 135480338 343964127 /nfs/dbraw/zinc/96/41/27/343964127.db2.gz GLRWWNGRWOCRNW-QMMMGPOBSA-N 0 3 178.235 2.039 10 30 AEEEHN CC[C@@H](C)NCc1ccc(C#N)o1 135480325 343964159 /nfs/dbraw/zinc/96/41/59/343964159.db2.gz GLRWWNGRWOCRNW-MRVPVSSYSA-N 0 3 178.235 2.039 10 30 AEEEHN CC(C)[C@H](C)NCc1ccc(C#N)o1 135481024 343964174 /nfs/dbraw/zinc/96/41/74/343964174.db2.gz PTIBWEKETJMRGY-VIFPVBQESA-N 0 3 192.262 2.285 10 30 AEEEHN COc1ccc(/C=N\C2CC2)cc1 39089872 168244336 /nfs/dbraw/zinc/24/43/36/168244336.db2.gz RIUXUNGFCDBOQS-WQLSENKSSA-N 0 3 175.231 2.277 10 30 AEEEHN COc1ccc(/C=N/C2CC2)cc1 103643193 168244560 /nfs/dbraw/zinc/24/45/60/168244560.db2.gz RIUXUNGFCDBOQS-XYOKQWHBSA-N 0 3 175.231 2.277 10 30 AEEEHN C[C@@H]1C[C@@H]1NCc1ccc(C#N)s1 135498990 343964626 /nfs/dbraw/zinc/96/46/26/343964626.db2.gz CTBJQHQUNVIZEK-XCBNKYQSSA-N 0 3 192.287 2.118 10 30 AEEEHN C[C@H]1C[C@H]1NCc1ccc(C#N)s1 135499048 343964679 /nfs/dbraw/zinc/96/46/79/343964679.db2.gz CTBJQHQUNVIZEK-OIBJUYFYSA-N 0 3 192.287 2.118 10 30 AEEEHN C[C@@H]1C[C@H]1NCc1ccc(C#N)s1 135499028 343964693 /nfs/dbraw/zinc/96/46/93/343964693.db2.gz CTBJQHQUNVIZEK-GMSGAONNSA-N 0 3 192.287 2.118 10 30 AEEEHN CC(C#N)C(=O)CC(C)(C)C 36931562 168317383 /nfs/dbraw/zinc/31/73/83/168317383.db2.gz PUYZITWDUNTSRR-ZETCQYMHSA-N 0 3 153.225 2.151 10 30 AEEEHN CC(C#N)C(=O)CC1CCCC1 38137655 168317541 /nfs/dbraw/zinc/31/75/41/168317541.db2.gz QANZLHIWNPEZQI-QMMMGPOBSA-N 0 3 165.236 2.295 10 30 AEEEHN CC(C#N)C(=O)c1ccc(F)cc1F 34975760 168318946 /nfs/dbraw/zinc/31/89/46/168318946.db2.gz FXSMAAQMDHNLCO-LURJTMIESA-N 0 3 195.168 2.307 10 30 AEEEHN C[C@@H](C#N)CN1CCCCCCC1 36667558 168319113 /nfs/dbraw/zinc/31/91/13/168319113.db2.gz VNWQTDPQXNBXHO-NSHDSACASA-N 0 3 180.295 2.412 10 30 AEEEHN C[C@@H](C#N)CNC1(C)CCCC1 42186804 168319355 /nfs/dbraw/zinc/31/93/55/168319355.db2.gz QVOHPYYUYPDAAY-VIFPVBQESA-N 0 3 166.268 2.068 10 30 AEEEHN C[C@@H](C#N)CN1C[C@H](C)C[C@@H](C)C1 31945838 168319462 /nfs/dbraw/zinc/31/94/62/168319462.db2.gz AZJMTRWUKPLLTE-MXWKQRLJSA-N 0 3 180.295 2.124 10 30 AEEEHN CC(C#N)C(=O)c1cc(F)ccc1F 34975757 168319881 /nfs/dbraw/zinc/31/98/81/168319881.db2.gz ONXQUSAWTZTRAA-LURJTMIESA-N 0 3 195.168 2.307 10 30 AEEEHN CC(C#N)C(=O)c1cccs1 36931614 168319923 /nfs/dbraw/zinc/31/99/23/168319923.db2.gz BJAACVPBBBEVFT-LURJTMIESA-N 0 3 165.217 2.090 10 30 AEEEHN C[C@@H](C#N)CN1CCCCCC1 31945825 168320332 /nfs/dbraw/zinc/32/03/32/168320332.db2.gz MVPPVPFPVHDQBR-JTQLQIEISA-N 0 3 166.268 2.022 10 30 AEEEHN CC(C#N)C(=O)c1cc(F)cc(F)c1 36935133 168320377 /nfs/dbraw/zinc/32/03/77/168320377.db2.gz DSPHVDIJUISZEN-LURJTMIESA-N 0 3 195.168 2.307 10 30 AEEEHN C[C@@H](C#N)CNC1(C)CCCCC1 45045548 168320642 /nfs/dbraw/zinc/32/06/42/168320642.db2.gz IZDDHEPSGXIEGK-JTQLQIEISA-N 0 3 180.295 2.458 10 30 AEEEHN CC(C#N)C(=O)c1ccccc1F 36935025 168320762 /nfs/dbraw/zinc/32/07/62/168320762.db2.gz SUDXVLWSQAQDPX-ZETCQYMHSA-N 0 3 177.178 2.168 10 30 AEEEHN C[C@@H](C#N)CN(C)C1CCCCC1 31945886 168320813 /nfs/dbraw/zinc/32/08/13/168320813.db2.gz QDFZGWFMQDOLJP-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H](CC#N)N(C)C(C)(C)C 49804605 168332113 /nfs/dbraw/zinc/33/21/13/168332113.db2.gz DKNJSUFVVDTYPY-QMMMGPOBSA-N 0 3 154.257 2.019 10 30 AEEEHN C[C@@H](CC#N)N(C)C1CCCC1 48246693 168332438 /nfs/dbraw/zinc/33/24/38/168332438.db2.gz ZGTSVWFXLXVQRG-VIFPVBQESA-N 0 3 166.268 2.163 10 30 AEEEHN C[C@@H](CC#N)NC1CCCCC1 37871073 168332925 /nfs/dbraw/zinc/33/29/25/168332925.db2.gz HSLWLNYNJHZXAJ-VIFPVBQESA-N 0 3 166.268 2.211 10 30 AEEEHN C[C@@H](CC#N)NC1(C)CCCC1 42186957 168332945 /nfs/dbraw/zinc/33/29/45/168332945.db2.gz MDZWNXQPTJHHPS-VIFPVBQESA-N 0 3 166.268 2.211 10 30 AEEEHN C[C@@H](CC#N)NC[C@H]1CC=CCC1 45630282 168332982 /nfs/dbraw/zinc/33/29/82/168332982.db2.gz CNXBDIOXMPGCLH-QWRGUYRKSA-N 0 3 178.279 2.234 10 30 AEEEHN C[C@@H](CC#N)NC(C1CC1)C1CC1 49234958 168333590 /nfs/dbraw/zinc/33/35/90/168333590.db2.gz ZNLYPCNZVMDNGW-QMMMGPOBSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H](CC#N)N1CCCCCC1 48208880 168334371 /nfs/dbraw/zinc/33/43/71/168334371.db2.gz VEIQFAVKGHVAAD-JTQLQIEISA-N 0 3 166.268 2.165 10 30 AEEEHN C[C@@H](CC#N)NC[C@@H]1CC=CCC1 45630286 168334617 /nfs/dbraw/zinc/33/46/17/168334617.db2.gz CNXBDIOXMPGCLH-WDEREUQCSA-N 0 3 178.279 2.234 10 30 AEEEHN C[C@@H](N)C#Cc1ccc(Cl)cc1 34751447 168358274 /nfs/dbraw/zinc/35/82/74/168358274.db2.gz CAYPHUKXQSWEIX-MRVPVSSYSA-N 0 3 179.650 2.039 10 30 AEEEHN C[C@@H](NCC#Cc1ccccc1)C1CC1 51814131 168378177 /nfs/dbraw/zinc/37/81/77/168378177.db2.gz WWVAVIKSLWQMAG-GFCCVEGCSA-N 0 3 199.297 2.426 10 30 AEEEHN C[C@@H](NCCC#N)C1CCCC1 54077881 168381178 /nfs/dbraw/zinc/38/11/78/168381178.db2.gz CMGGSBBZXVEHSQ-SECBINFHSA-N 0 3 166.268 2.068 10 30 AEEEHN CC(C#N)C(=O)c1cc(F)cc(F)c1 36935135 168507695 /nfs/dbraw/zinc/50/76/95/168507695.db2.gz DSPHVDIJUISZEN-ZCFIWIBFSA-N 0 3 195.168 2.307 10 30 AEEEHN C[C@H](N)C#Cc1ccc(Cl)cc1 34751446 168541960 /nfs/dbraw/zinc/54/19/60/168541960.db2.gz CAYPHUKXQSWEIX-QMMMGPOBSA-N 0 3 179.650 2.039 10 30 AEEEHN N#C[C@@H]1CCC[C@H]1NC1CCCC1 54822865 169107518 /nfs/dbraw/zinc/10/75/18/169107518.db2.gz WPCPVFPHEUSXAU-GXSJLCMTSA-N 0 3 178.279 2.211 10 30 AEEEHN N#C[C@@H]1CCCCC[C@@H]1NCC1CC1 54822898 169107634 /nfs/dbraw/zinc/10/76/34/169107634.db2.gz FSZDJANVQUFVTL-RYUDHWBXSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCCC[C@@H]1N1CCCC1 37145605 169107708 /nfs/dbraw/zinc/10/77/08/169107708.db2.gz PEVASOBTEKLRLB-QWRGUYRKSA-N 0 3 178.279 2.165 10 30 AEEEHN N#C[C@@H]1CCCC[C@@H]1NCC1CCC1 54824881 169107787 /nfs/dbraw/zinc/10/77/87/169107787.db2.gz XOYFVUJWQBLWRX-RYUDHWBXSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1NCC1CCCC1 54824928 169107810 /nfs/dbraw/zinc/10/78/10/169107810.db2.gz BCOWYPJMNNWZMW-RYUDHWBXSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCCCC[C@H]1NC1CC1 54822664 169107979 /nfs/dbraw/zinc/10/79/79/169107979.db2.gz ZOIOELWOFIFCEA-GXSJLCMTSA-N 0 3 178.279 2.211 10 30 AEEEHN N#C[C@@H]1CCC[C@H]1NCC1CCCC1 54824927 169108039 /nfs/dbraw/zinc/10/80/39/169108039.db2.gz BCOWYPJMNNWZMW-NWDGAFQWSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCCCC[C@@H]1NC1CC1 54822666 169108098 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/nfs/dbraw/zinc/11/16/55/169111655.db2.gz XOYFVUJWQBLWRX-VXGBXAGGSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@H]1CCCCC[C@H]1NC1CC1 54822663 169111736 /nfs/dbraw/zinc/11/17/36/169111736.db2.gz ZOIOELWOFIFCEA-MWLCHTKSSA-N 0 3 178.279 2.211 10 30 AEEEHN N#C[C@H]1CCCCC[C@H]1NCC1CC1 54822895 169111768 /nfs/dbraw/zinc/11/17/68/169111768.db2.gz FSZDJANVQUFVTL-VXGBXAGGSA-N 0 3 192.306 2.458 10 30 AEEEHN N#CC1CC(=O)c2cccc(F)c21 58518682 169111844 /nfs/dbraw/zinc/11/18/44/169111844.db2.gz AGZUVJNDQUHZPX-ZCFIWIBFSA-N 0 3 175.162 2.019 10 30 AEEEHN N#C[C@H]1CCC[C@H]1NC1CCCC1 54822863 169111885 /nfs/dbraw/zinc/11/18/85/169111885.db2.gz WPCPVFPHEUSXAU-MWLCHTKSSA-N 0 3 178.279 2.211 10 30 AEEEHN N#C[C@H]1CCCC[C@@H]1NC1CCC1 54829613 169112023 /nfs/dbraw/zinc/11/20/23/169112023.db2.gz KRTFKMYHZYAFCV-KOLCDFICSA-N 0 3 178.279 2.211 10 30 AEEEHN N#C[C@H]1CCCCC[C@@H]1NC1CC1 54822665 169112107 /nfs/dbraw/zinc/11/21/07/169112107.db2.gz ZOIOELWOFIFCEA-KOLCDFICSA-N 0 3 178.279 2.211 10 30 AEEEHN 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AEEEHN CC#CCN[C@@H]1CCc2ccccc21 51663250 171193243 /nfs/dbraw/zinc/19/32/43/171193243.db2.gz YCKYDOXRFGNYCS-CYBMUJFWSA-N 0 3 185.270 2.287 10 30 AEEEHN CC#CC[C@H](N)c1ccc(F)c(F)c1 51665104 171193311 /nfs/dbraw/zinc/19/33/11/171193311.db2.gz GQCLYIGQVWNMMI-NSHDSACASA-N 0 3 195.212 2.378 10 30 AEEEHN CC#CC[C@@H](NC)c1cccs1 51665037 171193570 /nfs/dbraw/zinc/19/35/70/171193570.db2.gz SUQCPNIIGFLQHC-SECBINFHSA-N 0 3 179.288 2.422 10 30 AEEEHN CC#CCN[C@H]1C[C@@H]1c1ccccc1 51663671 171193584 /nfs/dbraw/zinc/19/35/84/171193584.db2.gz GYXMPKMCHJEEKU-OLZOCXBDSA-N 0 3 185.270 2.155 10 30 AEEEHN CC#CCN[C@@H](C)c1ccc(F)cc1 51663546 171193596 /nfs/dbraw/zinc/19/35/96/171193596.db2.gz GKJLDDHPWBCJKB-JTQLQIEISA-N 0 3 191.249 2.500 10 30 AEEEHN CC#CC[C@H](N)c1ccsc1 51665101 171193770 /nfs/dbraw/zinc/19/37/70/171193770.db2.gz VJEKJJVESLPKIR-VIFPVBQESA-N 0 3 165.261 2.161 10 30 AEEEHN CC#CCN[C@H](C)c1ccc(F)cc1 51663548 171193807 /nfs/dbraw/zinc/19/38/07/171193807.db2.gz GKJLDDHPWBCJKB-SNVBAGLBSA-N 0 3 191.249 2.500 10 30 AEEEHN CC#CCOc1ccccc1[C@@H](C)N 51662259 171193865 /nfs/dbraw/zinc/19/38/65/171193865.db2.gz VYQHCPVTJPSBHS-SNVBAGLBSA-N 0 3 189.258 2.108 10 30 AEEEHN CC#CCNCc1ccc(C)s1 51663744 171193904 /nfs/dbraw/zinc/19/39/04/171193904.db2.gz WLCZHUQIGGMPJT-UHFFFAOYSA-N 0 3 179.288 2.169 10 30 AEEEHN CC#CCNCc1ccc(C)cc1 51663030 171193910 /nfs/dbraw/zinc/19/39/10/171193910.db2.gz XAUSANFXUMEDDZ-UHFFFAOYSA-N 0 3 173.259 2.108 10 30 AEEEHN CC#CCN[C@H](C)c1cccc(F)c1 51663578 171193960 /nfs/dbraw/zinc/19/39/60/171193960.db2.gz STTKSDJJYVWREG-SNVBAGLBSA-N 0 3 191.249 2.500 10 30 AEEEHN CC#CC[C@@H](N)c1ccccc1OC 51664918 171194106 /nfs/dbraw/zinc/19/41/06/171194106.db2.gz RCLRBCDBKNZJFB-LLVKDONJSA-N 0 3 189.258 2.108 10 30 AEEEHN CC#CCN[C@H]1CCc2ccccc21 51663252 171194162 /nfs/dbraw/zinc/19/41/62/171194162.db2.gz YCKYDOXRFGNYCS-ZDUSSCGKSA-N 0 3 185.270 2.287 10 30 AEEEHN CC#CCN[C@@H](C)c1cccc(F)c1 51663575 171194184 /nfs/dbraw/zinc/19/41/84/171194184.db2.gz STTKSDJJYVWREG-JTQLQIEISA-N 0 3 191.249 2.500 10 30 AEEEHN CC#CC[C@H](N)c1cc(F)cc(F)c1 51665757 171194378 /nfs/dbraw/zinc/19/43/78/171194378.db2.gz PIPKTCVGUSGFEW-NSHDSACASA-N 0 3 195.212 2.378 10 30 AEEEHN C=C(Br)CNC1CCC1 52210103 171194520 /nfs/dbraw/zinc/19/45/20/171194520.db2.gz FAESCFYDMZUVPB-UHFFFAOYSA-N 0 3 190.084 2.037 10 30 AEEEHN C=C[C@@](C)(NC)c1ccccc1 75545095 171195616 /nfs/dbraw/zinc/19/56/16/171195616.db2.gz PAHAPRQBGAGORZ-LLVKDONJSA-N 0 3 161.248 2.307 10 30 AEEEHN CC#CC[C@@H](N)c1ccccc1F 62774554 171198212 /nfs/dbraw/zinc/19/82/12/171198212.db2.gz MWNBCVXFWNQGPP-LLVKDONJSA-N 0 3 177.222 2.239 10 30 AEEEHN CC#CC[C@@H](N)c1ccc(F)cc1F 62774238 171198286 /nfs/dbraw/zinc/19/82/86/171198286.db2.gz TUIGBSPBYMTFBB-LLVKDONJSA-N 0 3 195.212 2.378 10 30 AEEEHN CC#CC[C@H](N)c1ccc(F)cc1F 62774237 171198556 /nfs/dbraw/zinc/19/85/56/171198556.db2.gz TUIGBSPBYMTFBB-NSHDSACASA-N 0 3 195.212 2.378 10 30 AEEEHN C=C(C)CNc1ccncc1 67175654 171199837 /nfs/dbraw/zinc/19/98/37/171199837.db2.gz 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/nfs/dbraw/zinc/18/34/63/344183463.db2.gz RJBWTWREERJCQW-JTQLQIEISA-N 0 3 194.665 2.148 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1NCCC1CCC1 162482036 344209110 /nfs/dbraw/zinc/20/91/10/344209110.db2.gz CWXHQFLQBVWCKH-RYUDHWBXSA-N 0 3 192.306 2.458 10 30 AEEEHN C#CC[C@@H](NC)c1cc(C)cc(F)c1 162639710 344211678 /nfs/dbraw/zinc/21/16/78/344211678.db2.gz NNOSYCASKAODBX-GFCCVEGCSA-N 0 3 191.249 2.418 10 30 AEEEHN C#CC[C@H](NC)c1cc(C)cc(F)c1 162639833 344211710 /nfs/dbraw/zinc/21/17/10/344211710.db2.gz NNOSYCASKAODBX-LBPRGKRZSA-N 0 3 191.249 2.418 10 30 AEEEHN CC#CC[C@H](N)c1ccoc1C 163797505 344230272 /nfs/dbraw/zinc/23/02/72/344230272.db2.gz KMHFLFMHJQLCPE-JTQLQIEISA-N 0 3 163.220 2.001 10 30 AEEEHN C=C(C)[C@H](N)c1ccoc1C 163795727 344230278 /nfs/dbraw/zinc/23/02/78/344230278.db2.gz SPKLAPZZXONKHQ-VIFPVBQESA-N 0 3 151.209 2.164 10 30 AEEEHN C=C(C)[C@@H](N)c1ccoc1C 163795654 344230294 /nfs/dbraw/zinc/23/02/94/344230294.db2.gz SPKLAPZZXONKHQ-SECBINFHSA-N 0 3 151.209 2.164 10 30 AEEEHN C=C(C)[C@H](N)c1scnc1C 164082921 344236381 /nfs/dbraw/zinc/23/63/81/344236381.db2.gz OBXVJGYBENGKGB-ZETCQYMHSA-N 0 3 168.265 2.027 10 30 AEEEHN C=C(C)[C@H](NC)c1cccnc1C 164071781 344236383 /nfs/dbraw/zinc/23/63/83/344236383.db2.gz RCBCMWZEOHKXDV-NSHDSACASA-N 0 3 176.263 2.227 10 30 AEEEHN C=C(C)[C@@H](NC)c1cccnc1C 164071663 344236397 /nfs/dbraw/zinc/23/63/97/344236397.db2.gz RCBCMWZEOHKXDV-LLVKDONJSA-N 0 3 176.263 2.227 10 30 AEEEHN C=C(C)[C@@H](N)c1ccc(C)nc1C 164093356 344237032 /nfs/dbraw/zinc/23/70/32/344237032.db2.gz WFUBFPJFJFNFDH-LLVKDONJSA-N 0 3 176.263 2.274 10 30 AEEEHN CN(C)[C@H]1CCCCCC/C1=N/O 165339926 344262376 /nfs/dbraw/zinc/26/23/76/344262376.db2.gz QPAYOKWZYWUKKS-RGAIUGGKSA-N 0 3 184.283 2.101 10 30 AEEEHN C#CC[C@H](N)c1cc2c(s1)CCC2 168566927 344332926 /nfs/dbraw/zinc/33/29/26/344332926.db2.gz QKNCMJDGPBNMEM-VIFPVBQESA-N 0 3 191.299 2.260 10 30 AEEEHN C#CC[C@@H](N)c1cc2c(s1)CCC2 168567001 344333123 /nfs/dbraw/zinc/33/31/23/344333123.db2.gz QKNCMJDGPBNMEM-SECBINFHSA-N 0 3 191.299 2.260 10 30 AEEEHN C#CC[C@H](N)c1cccc(C)c1F 168578208 344333128 /nfs/dbraw/zinc/33/31/28/344333128.db2.gz GOVYJUATFJBQSY-JTQLQIEISA-N 0 3 177.222 2.157 10 30 AEEEHN C=C[C@@H](C)N[C@@H]1COc2ccccc21 224558973 344470348 /nfs/dbraw/zinc/47/03/48/344470348.db2.gz XTLLDJCLKPPOGP-MWLCHTKSSA-N 0 3 189.258 2.284 10 30 AEEEHN CC1(CN[C@H]2CCC[C@@H]2C#N)CC1 226403035 344501750 /nfs/dbraw/zinc/50/17/50/344501750.db2.gz JXHNMKZSZAFRLW-ZJUUUORDSA-N 0 3 178.279 2.068 10 30 AEEEHN C=C(C)CC(=O)[C@]1(N)CCC[C@H](C)C1 226467508 344503810 /nfs/dbraw/zinc/50/38/10/344503810.db2.gz VBJXQERNLQADTD-JQWIXIFHSA-N 0 3 195.306 2.429 10 30 AEEEHN C#CCC[C@@H](N)c1ncc(C)cc1C 227564411 344535599 /nfs/dbraw/zinc/53/55/99/344535599.db2.gz FJZBWKQQMVTGAO-LLVKDONJSA-N 0 3 188.274 2.112 10 30 AEEEHN C#C[C@@H](C)N[C@H](C)c1cccc(F)c1 229521131 344600111 /nfs/dbraw/zinc/60/01/11/344600111.db2.gz JCBCBSRGURNWQX-NXEZZACHSA-N 0 3 191.249 2.498 10 30 AEEEHN CC[C@H](N)C#Cc1ccccc1C 229901393 344619162 /nfs/dbraw/zinc/61/91/62/344619162.db2.gz IBZZEQMONILSEY-LBPRGKRZSA-N 0 3 173.259 2.084 10 30 AEEEHN CCC[C@@H](N)C#Cc1ccccc1 229901356 344619169 /nfs/dbraw/zinc/61/91/69/344619169.db2.gz VNGGHOFSMOUGHO-GFCCVEGCSA-N 0 3 173.259 2.166 10 30 AEEEHN CC[C@@H](N)C#Cc1ccccc1Cl 229902355 344619180 /nfs/dbraw/zinc/61/91/80/344619180.db2.gz KIVGXECJYOKQCS-SNVBAGLBSA-N 0 3 193.677 2.429 10 30 AEEEHN CC[C@H](N)C#Cc1ccc(F)cc1C 229901945 344619198 /nfs/dbraw/zinc/61/91/98/344619198.db2.gz QZJZRQUAOUUYIU-LBPRGKRZSA-N 0 3 191.249 2.223 10 30 AEEEHN CCC[C@H](N)C#Cc1ccccc1 229901364 344619203 /nfs/dbraw/zinc/61/92/03/344619203.db2.gz VNGGHOFSMOUGHO-LBPRGKRZSA-N 0 3 173.259 2.166 10 30 AEEEHN CC[C@@H](N)C#Cc1ccccc1C 229901389 344619224 /nfs/dbraw/zinc/61/92/24/344619224.db2.gz IBZZEQMONILSEY-GFCCVEGCSA-N 0 3 173.259 2.084 10 30 AEEEHN CC[C@H](N)C#Cc1ccc(C)cc1 229900825 344619232 /nfs/dbraw/zinc/61/92/32/344619232.db2.gz NRTSHGICSNYRCB-LBPRGKRZSA-N 0 3 173.259 2.084 10 30 AEEEHN CC[C@@H](N)C#Cc1ccc(C)cc1 229900821 344619257 /nfs/dbraw/zinc/61/92/57/344619257.db2.gz NRTSHGICSNYRCB-GFCCVEGCSA-N 0 3 173.259 2.084 10 30 AEEEHN CC[C@@H](N)C#Cc1cccc(C)c1 229900748 344619265 /nfs/dbraw/zinc/61/92/65/344619265.db2.gz DODBJVHJUSLQRY-GFCCVEGCSA-N 0 3 173.259 2.084 10 30 AEEEHN CC[C@H](N)C#Cc1cccc(C)c1 229900754 344619286 /nfs/dbraw/zinc/61/92/86/344619286.db2.gz DODBJVHJUSLQRY-LBPRGKRZSA-N 0 3 173.259 2.084 10 30 AEEEHN CC[C@H](N)C#Cc1cc(F)ccc1C 229901508 344619289 /nfs/dbraw/zinc/61/92/89/344619289.db2.gz PXUYUNDUOPRTBV-LBPRGKRZSA-N 0 3 191.249 2.223 10 30 AEEEHN CC[C@@H](N)C#Cc1cc(F)ccc1C 229901501 344619295 /nfs/dbraw/zinc/61/92/95/344619295.db2.gz PXUYUNDUOPRTBV-GFCCVEGCSA-N 0 3 191.249 2.223 10 30 AEEEHN Cc1ccc(C#C[C@H](C)N)cc1Cl 231992437 344669288 /nfs/dbraw/zinc/66/92/88/344669288.db2.gz RIJBFHMYWHKNTQ-VIFPVBQESA-N 0 3 193.677 2.347 10 30 AEEEHN CNCC#Cc1ccc(C)c(Cl)c1 231992440 344669292 /nfs/dbraw/zinc/66/92/92/344669292.db2.gz PAUKKYYCXAJJCF-UHFFFAOYSA-N 0 3 193.677 2.219 10 30 AEEEHN Cc1ccc(C#C[C@@H](C)N)cc1Cl 231992434 344669321 /nfs/dbraw/zinc/66/93/21/344669321.db2.gz RIJBFHMYWHKNTQ-SECBINFHSA-N 0 3 193.677 2.347 10 30 AEEEHN C#CC(C)(C)NC/C(C)=C/Cl 231999829 344669327 /nfs/dbraw/zinc/66/93/27/344669327.db2.gz ZFAKQFRYOWRGCM-SOFGYWHQSA-N 0 3 171.671 2.130 10 30 AEEEHN CC#CCC[C@@H](N)c1cnc(C)s1 232478850 344680074 /nfs/dbraw/zinc/68/00/74/344680074.db2.gz UWBOELFXRRSYFS-SECBINFHSA-N 0 3 194.303 2.255 10 30 AEEEHN CC#CC[C@H](N)c1ncccc1Cl 232564504 344683325 /nfs/dbraw/zinc/68/33/25/344683325.db2.gz DBACBPUIYPOKDA-VIFPVBQESA-N 0 3 194.665 2.148 10 30 AEEEHN CC#CC[C@H](N)c1sc(C)nc1C 232564536 344683396 /nfs/dbraw/zinc/68/33/96/344683396.db2.gz HWQZCLHRTIQWHE-VIFPVBQESA-N 0 3 194.303 2.173 10 30 AEEEHN CC#CC[C@H](N)c1ccoc1Cl 232564380 344683402 /nfs/dbraw/zinc/68/34/02/344683402.db2.gz LWVCPZSXZCSNCZ-QMMMGPOBSA-N 0 3 183.638 2.346 10 30 AEEEHN C=C(C)[C@H](N)c1cnc(C)s1 232565036 344683408 /nfs/dbraw/zinc/68/34/08/344683408.db2.gz KVBPQJOIQHUZPN-QMMMGPOBSA-N 0 3 168.265 2.027 10 30 AEEEHN C#CCNCc1ccc(C)c(Cl)c1 235770122 344766047 /nfs/dbraw/zinc/76/60/47/344766047.db2.gz JLBDIHRAHXDQMR-UHFFFAOYSA-N 0 3 193.677 2.371 10 30 AEEEHN C=CC[C@@H](N)c1cnc(C)s1 235839130 344768895 /nfs/dbraw/zinc/76/88/95/344768895.db2.gz PHPQYRSOYAHZCH-SSDOTTSWSA-N 0 3 168.265 2.027 10 30 AEEEHN C=C(Cl)CN[C@@H]1C=CCCC1 236021141 344771492 /nfs/dbraw/zinc/77/14/92/344771492.db2.gz NSNWVXDGAOMJBO-SECBINFHSA-N 0 3 171.671 2.437 10 30 AEEEHN C=C[C@@H](N)c1sccc1F 238578574 344814377 /nfs/dbraw/zinc/81/43/77/344814377.db2.gz JNTCHSSWYAYPQB-ZCFIWIBFSA-N 0 3 157.213 2.073 10 30 AEEEHN CCC[C@H](C)N[C@@H]1CCC[C@H]1C#N 251361689 344852851 /nfs/dbraw/zinc/85/28/51/344852851.db2.gz SKTZFERUMDOCFV-GARJFASQSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](CC#N)N[C@H]1CCCC[C@H]1C 252440038 344896926 /nfs/dbraw/zinc/89/69/26/344896926.db2.gz WHEWITWHGSQTPI-MXWKQRLJSA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@@H]1CCN([C@@H]2CCC[C@H]2C#N)C1 252843478 344916093 /nfs/dbraw/zinc/91/60/93/344916093.db2.gz DDKOKUIVWCVRGY-GRYCIOLGSA-N 0 3 192.306 2.411 10 30 AEEEHN C#C[C@H](Nc1ccncc1)C(C)C 300926664 345014288 /nfs/dbraw/zinc/01/42/88/345014288.db2.gz NKVLQYVKBANAQW-NSHDSACASA-N 0 3 174.247 2.151 10 30 AEEEHN C#C[C@@H](Nc1ccncc1)C(C)C 300926662 345014307 /nfs/dbraw/zinc/01/43/07/345014307.db2.gz NKVLQYVKBANAQW-LLVKDONJSA-N 0 3 174.247 2.151 10 30 AEEEHN Cc1ccsc1C#C[C@H](N)C(C)C 300956766 345018461 /nfs/dbraw/zinc/01/84/61/345018461.db2.gz QLCFBKZRVOLUIO-JTQLQIEISA-N 0 3 193.315 2.391 10 30 AEEEHN Cc1cc(C#C[C@@H](N)C(C)C)cs1 300954294 345018466 /nfs/dbraw/zinc/01/84/66/345018466.db2.gz QCTQBLPQPOJRMO-LLVKDONJSA-N 0 3 193.315 2.391 10 30 AEEEHN CC(C)=CC[C@@]1(C#N)CCCNC1 306166439 345057714 /nfs/dbraw/zinc/05/77/14/345057714.db2.gz CXQBPILNOFTYRE-LLVKDONJSA-N 0 3 178.279 2.236 10 30 AEEEHN C[C@H]1CC[C@@H]1NCc1ccc(C#N)o1 306383958 345249091 /nfs/dbraw/zinc/24/90/91/345249091.db2.gz VWIXOTGMKBARRS-KWQFWETISA-N 0 3 190.246 2.039 10 30 AEEEHN C[C@H](N[C@@H]1CCC[C@@H]1C#N)[C@H]1C[C@H]1C 306466529 345327212 /nfs/dbraw/zinc/32/72/12/345327212.db2.gz GKKXSCVGVJFKOL-CSYMLDBXSA-N 0 3 192.306 2.313 10 30 AEEEHN C[C@H](CC#N)N1CC[C@H]2CCC[C@@H]21 306466921 345328081 /nfs/dbraw/zinc/32/80/81/345328081.db2.gz LHZREDOKUFQDQP-MXWKQRLJSA-N 0 3 178.279 2.163 10 30 AEEEHN C[C@H](CC#N)N1CC[C@@H]2CCC[C@@H]21 306466923 345328097 /nfs/dbraw/zinc/32/80/97/345328097.db2.gz LHZREDOKUFQDQP-VWYCJHECSA-N 0 3 178.279 2.163 10 30 AEEEHN C[C@H](CC#N)N1CC[C@H]2CCC[C@H]21 306466919 345328102 /nfs/dbraw/zinc/32/81/02/345328102.db2.gz LHZREDOKUFQDQP-GMTAPVOTSA-N 0 3 178.279 2.163 10 30 AEEEHN C[C@H](CC#N)N1CC[C@@H]2CCC[C@H]21 306466922 345328120 /nfs/dbraw/zinc/32/81/20/345328120.db2.gz LHZREDOKUFQDQP-OUAUKWLOSA-N 0 3 178.279 2.163 10 30 AEEEHN CC1(C[C@]2(C#N)CCCNC2)CCC1 306468842 345330607 /nfs/dbraw/zinc/33/06/07/345330607.db2.gz OGUUIVOPWRAUID-LBPRGKRZSA-N 0 3 192.306 2.460 10 30 AEEEHN CC(C)(C=O)N1CCC[C@@H]2CCC[C@H]21 306562078 345437741 /nfs/dbraw/zinc/43/77/41/345437741.db2.gz UCWKJXZGCBVFJO-WDEREUQCSA-N 0 3 195.306 2.228 10 30 AEEEHN C=C(C)C[C@@H]([NH3+])c1cc(O)ccc1[O-] 306562216 345438193 /nfs/dbraw/zinc/43/81/93/345438193.db2.gz CEFDHDPJCDFYOI-SNVBAGLBSA-N 0 3 193.246 2.064 10 30 AEEEHN C=C[C@H](C)N1CCC[C@H](CC#N)C1 306579328 345456339 /nfs/dbraw/zinc/45/63/39/345456339.db2.gz MZDIYEVFGRCLRS-WDEREUQCSA-N 0 3 178.279 2.187 10 30 AEEEHN C=C(C)C[C@@H]([NH3+])c1ccc([O-])c(F)c1 306587219 345464352 /nfs/dbraw/zinc/46/43/52/345464352.db2.gz SBSGCXMYOVYHDV-SNVBAGLBSA-N 0 3 195.237 2.497 10 30 AEEEHN CC[C@H]1CC[C@H](C)N(CCC#N)C1 306612181 345486025 /nfs/dbraw/zinc/48/60/25/345486025.db2.gz IAASXCRTFVOEEP-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@H]1CCC[C@H](C)N1C(C)(C)C=O 306735035 345582604 /nfs/dbraw/zinc/58/26/04/345582604.db2.gz OXAAVHWMSRGFRP-UWVGGRQHSA-N 0 3 183.295 2.227 10 30 AEEEHN C/C=C/CN1CCC(CC#N)CC1 306882467 345678977 /nfs/dbraw/zinc/67/89/77/345678977.db2.gz NJOVKOBTUSOYIW-NSCUHMNNSA-N 0 3 178.279 2.188 10 30 AEEEHN C=C(C)[C@@]1(F)CC[C@@H](C)NC1 306909845 345694735 /nfs/dbraw/zinc/69/47/35/345694735.db2.gz PCTWNHKDJJLEPO-RKDXNWHRSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)C[C@@H]([NH3+])c1cccc(O)c1[O-] 307176573 345866720 /nfs/dbraw/zinc/86/67/20/345866720.db2.gz YIIYVUZGXYKHSQ-SECBINFHSA-N 0 3 193.246 2.064 10 30 AEEEHN CC#CCN[C@@H]1CC12CCCCC2 307204536 345888528 /nfs/dbraw/zinc/88/85/28/345888528.db2.gz GOPHHSHHZYXGIS-LLVKDONJSA-N 0 3 177.291 2.322 10 30 AEEEHN CCCc1ccccc1C#C[C@@H](C)N 307232720 345909876 /nfs/dbraw/zinc/90/98/76/345909876.db2.gz DPSHLBKXIDKQGF-LLVKDONJSA-N 0 3 187.286 2.338 10 30 AEEEHN C[C@@H]1CCN(C(C)(C)C=O)[C@H](C)C1 307244468 345918348 /nfs/dbraw/zinc/91/83/48/345918348.db2.gz USFYOHROZHSMDA-NXEZZACHSA-N 0 3 183.295 2.084 10 30 AEEEHN C=CC[C@H](N)c1cocc1C 307272739 345939081 /nfs/dbraw/zinc/93/90/81/345939081.db2.gz NZYDBIUOOSGPTD-VIFPVBQESA-N 0 3 151.209 2.164 10 30 AEEEHN C#CC[C@@H](N)c1csc(C)c1 307487732 346069658 /nfs/dbraw/zinc/06/96/58/346069658.db2.gz OANRVSYGYXDISJ-SECBINFHSA-N 0 3 165.261 2.080 10 30 AEEEHN C[C@@H]1C[C@@H](NCC(C)(C)C#N)[C@@H]1C 307665585 346172470 /nfs/dbraw/zinc/17/24/70/346172470.db2.gz AYXXDDMQMGIUHS-OPRDCNLKSA-N 0 3 180.295 2.170 10 30 AEEEHN C#C[C@H](NC)c1csc(C)c1C 307676090 346177012 /nfs/dbraw/zinc/17/70/12/346177012.db2.gz HINUNKGDLWYROA-JTQLQIEISA-N 0 3 179.288 2.259 10 30 AEEEHN C=C1CCCN(Cc2ccc[nH]2)C1 307717749 346200836 /nfs/dbraw/zinc/20/08/36/346200836.db2.gz KCGIOPRHRKYCSH-UHFFFAOYSA-N 0 3 176.263 2.167 10 30 AEEEHN C=C[C@@H](OC)[C@H](N)c1ccc(C)cc1 308407198 346299680 /nfs/dbraw/zinc/29/96/80/346299680.db2.gz ANFCNRMXBFHPCP-VXGBXAGGSA-N 0 3 191.274 2.196 10 30 AEEEHN CC(C)C(NCCC#N)C(C)C 379333622 346501270 /nfs/dbraw/zinc/50/12/70/346501270.db2.gz HJWQWCQIFPUNMO-UHFFFAOYSA-N 0 3 168.284 2.170 10 30 AEEEHN C=CC[C@H](C)NCc1cc(C)no1 379343311 346503762 /nfs/dbraw/zinc/50/37/62/346503762.db2.gz JXHJWTINKMAUFN-QMMMGPOBSA-N 0 3 180.251 2.037 10 30 AEEEHN C[C@@H](NCC1(C#N)CC1)[C@H]1CC1(C)C 379599596 346526656 /nfs/dbraw/zinc/52/66/56/346526656.db2.gz JULAYYSDHQKTFU-NXEZZACHSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1CC[C@@H]1C1CCC1 379631722 346527901 /nfs/dbraw/zinc/52/79/01/346527901.db2.gz ODLSRWHQGXMUSG-YUSALJHKSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](C#N)CN[C@H]1CC[C@H]1C1CCC1 379631721 346527904 /nfs/dbraw/zinc/52/79/04/346527904.db2.gz ODLSRWHQGXMUSG-USWWRNFRSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](CC#N)NCC12CCC(CC1)C2 379640337 346527920 /nfs/dbraw/zinc/52/79/20/346527920.db2.gz UKMCBUXPSHYBJK-VOMCLLRMSA-N 0 3 192.306 2.458 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1CC[C@H]1C1CCC1 379631719 346527951 /nfs/dbraw/zinc/52/79/51/346527951.db2.gz ODLSRWHQGXMUSG-ADEWGFFLSA-N 0 3 192.306 2.314 10 30 AEEEHN C=C(C)CCN[C@@H]1CCC[C@@H]1C#N 387440439 346545487 /nfs/dbraw/zinc/54/54/87/346545487.db2.gz PLXNMRGLWFXQGT-GHMZBOCLSA-N 0 3 178.279 2.234 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403317827 346634727 /nfs/dbraw/zinc/63/47/27/346634727.db2.gz GUYTUUSIBHQSMD-ZYUZMQFOSA-N 0 3 177.247 2.151 10 30 AEEEHN C[C@H](NCC1(C#N)CCCC1)C1CC1 405092619 346657047 /nfs/dbraw/zinc/65/70/47/346657047.db2.gz HPTCHVLTSUGODX-JTQLQIEISA-N 0 3 192.306 2.458 10 30 AEEEHN CC1(CNCC2(C#N)CCCC2)CC1 405089943 346657056 /nfs/dbraw/zinc/65/70/56/346657056.db2.gz GDPOPUAVMLYONN-UHFFFAOYSA-N 0 3 192.306 2.460 10 30 AEEEHN N#CC1(CNCC2CC2)CCCC1 405091682 346657060 /nfs/dbraw/zinc/65/70/60/346657060.db2.gz GWYFAKUNRJJYKD-UHFFFAOYSA-N 0 3 178.279 2.070 10 30 AEEEHN C[C@H](C#N)CN(C)C[C@H]1C[C@@H]2C[C@@H]2C1 595300485 346857338 /nfs/dbraw/zinc/85/73/38/346857338.db2.gz CYVZWLNZPIHOSY-WISYIIOYSA-N 0 3 192.306 2.124 10 30 AEEEHN C[C@@H](C#N)CN(C)C[C@H]1C[C@@H]2C[C@@H]2C1 595300487 346857353 /nfs/dbraw/zinc/85/73/53/346857353.db2.gz CYVZWLNZPIHOSY-YFKTTZPYSA-N 0 3 192.306 2.124 10 30 AEEEHN CCN(CCC#N)C[C@H]1C[C@@H]2C[C@@H]2C1 595333263 346858134 /nfs/dbraw/zinc/85/81/34/346858134.db2.gz OGSTUJGXVFJRCU-ZSBIGDGJSA-N 0 3 192.306 2.268 10 30 AEEEHN C=C(C)CCN1CC[C@@](C)(C#N)C1 595842934 346869020 /nfs/dbraw/zinc/86/90/20/346869020.db2.gz IIKIKFHQZBSNCZ-NSHDSACASA-N 0 3 178.279 2.188 10 30 AEEEHN C=CCCN(C)[C@@H]1CCC[C@@H]1C#N 602977474 346949112 /nfs/dbraw/zinc/94/91/12/346949112.db2.gz BQOMSOSGDFSRHI-GHMZBOCLSA-N 0 3 178.279 2.187 10 30 AEEEHN C=CCCN(C)[C@@H]1CCC[C@H]1C#N 602977477 346949122 /nfs/dbraw/zinc/94/91/22/346949122.db2.gz BQOMSOSGDFSRHI-WDEREUQCSA-N 0 3 178.279 2.187 10 30 AEEEHN C=CCCN(C)[C@H]1CCC[C@@H]1C#N 602977475 346949129 /nfs/dbraw/zinc/94/91/29/346949129.db2.gz BQOMSOSGDFSRHI-MNOVXSKESA-N 0 3 178.279 2.187 10 30 AEEEHN C=CC(C)(C)CCNCc1cc[nH]n1 623593171 347259486 /nfs/dbraw/zinc/25/94/86/347259486.db2.gz XGIZPFJRDFRFPI-UHFFFAOYSA-N 0 3 193.294 2.102 10 30 AEEEHN C=CCCCCNCc1cnc(C)o1 628240229 347312834 /nfs/dbraw/zinc/31/28/34/347312834.db2.gz VQZPZCMPYMEPTQ-UHFFFAOYSA-N 0 3 194.278 2.429 10 30 AEEEHN C=C(C)CN1CCC[C@H]1c1cn[nH]c1 639777669 347534473 /nfs/dbraw/zinc/53/44/73/347534473.db2.gz FQYGIMAKVFEEGH-NSHDSACASA-N 0 3 191.278 2.123 10 30 AEEEHN N#C[C@H](CN1CCCCCC1)C1CC1 260630592 351886355 /nfs/dbraw/zinc/88/63/55/351886355.db2.gz WFIJOOXCUQDREW-GFCCVEGCSA-N 0 3 192.306 2.412 10 30 AEEEHN C=C(C)CCN1[C@H](C)COC[C@H]1C 306569861 351946615 /nfs/dbraw/zinc/94/66/15/351946615.db2.gz LTPUBTPCYRWXDI-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C[C@H]1[C@H](C)CCN1CC1(C#N)CC1 306746208 351961133 /nfs/dbraw/zinc/96/11/33/351961133.db2.gz DFXXVQYGJLFEAU-ZJUUUORDSA-N 0 3 178.279 2.020 10 30 AEEEHN CC(C)(C#N)CCN1C[C@@H]2CCC[C@@H]21 334677474 352079245 /nfs/dbraw/zinc/07/92/45/352079245.db2.gz LKZKSQMXEJXMKG-QWRGUYRKSA-N 0 3 192.306 2.411 10 30 AEEEHN CC(C)(C#N)CCN1C[C@H]2CCC[C@H]21 334677472 352079248 /nfs/dbraw/zinc/07/92/48/352079248.db2.gz LKZKSQMXEJXMKG-GHMZBOCLSA-N 0 3 192.306 2.411 10 30 AEEEHN C=C(Cl)C[C@@]1(C#N)CCCNC1 575556970 352661862 /nfs/dbraw/zinc/66/18/62/352661862.db2.gz AGEHBHPUFIQOMK-SECBINFHSA-N 0 3 184.670 2.022 10 30 AEEEHN C[C@H](C#N)CN[C@H](C)[C@@H]1C[C@H]1C1CC1 529544236 325661804 /nfs/dbraw/zinc/66/18/04/325661804.db2.gz WNCYFMDNYOZRFE-LSKIRQOJSA-N 0 3 192.306 2.170 10 30 AEEEHN C[C@H](NC[C@@H](C)C#N)[C@@H]1C[C@H]1C1CC1 529544239 325661889 /nfs/dbraw/zinc/66/18/89/325661889.db2.gz WNCYFMDNYOZRFE-QSFUFRPTSA-N 0 3 192.306 2.170 10 30 AEEEHN CC(C)NCC#Cc1ccccc1 10436062 343022203 /nfs/dbraw/zinc/02/22/03/343022203.db2.gz KZKITRYDBJTNDM-UHFFFAOYSA-N 0 3 173.259 2.036 10 30 AEEEHN C(=N/C1CC1)\c1ccccc1 18020847 343047959 /nfs/dbraw/zinc/04/79/59/343047959.db2.gz AJEGQHWTAFJTEO-DHZHZOJOSA-N 0 3 145.205 2.268 10 30 AEEEHN C[C@H]1C[C@@H](C)CN(C[C@@H](C)C#N)C1 31945839 343094777 /nfs/dbraw/zinc/09/47/77/343094777.db2.gz AZJMTRWUKPLLTE-AXFHLTTASA-N 0 3 180.295 2.124 10 30 AEEEHN C[C@H](C#N)CN1CCCCCC1 31945824 343094781 /nfs/dbraw/zinc/09/47/81/343094781.db2.gz MVPPVPFPVHDQBR-SNVBAGLBSA-N 0 3 166.268 2.022 10 30 AEEEHN CC(C#N)C(=O)c1ccc(F)cc1F 34975762 343126618 /nfs/dbraw/zinc/12/66/18/343126618.db2.gz FXSMAAQMDHNLCO-ZCFIWIBFSA-N 0 3 195.168 2.307 10 30 AEEEHN CN(C)Cc1c[nH]c2c(C#N)cccc12 35635671 343135017 /nfs/dbraw/zinc/13/50/17/343135017.db2.gz QFOLCQGYUDJEJD-UHFFFAOYSA-N 0 3 199.257 2.101 10 30 AEEEHN CC[C@@H](CC#N)N1CCC(C)CC1 36677364 343147655 /nfs/dbraw/zinc/14/76/55/343147655.db2.gz RFJPMIWITKVUBX-NSHDSACASA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@H](CC#N)N1CCC(C)CC1 36677365 343147768 /nfs/dbraw/zinc/14/77/68/343147768.db2.gz RFJPMIWITKVUBX-LLVKDONJSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)[C@H](C)N(C)C[C@@H](C)C#N 36787330 343150357 /nfs/dbraw/zinc/15/03/57/343150357.db2.gz BUTLJZDQCHGANS-UWVGGRQHSA-N 0 3 168.284 2.122 10 30 AEEEHN CC(C)[C@@H](C)N(C)C[C@@H](C)C#N 36787329 343150540 /nfs/dbraw/zinc/15/05/40/343150540.db2.gz BUTLJZDQCHGANS-VHSXEESVSA-N 0 3 168.284 2.122 10 30 AEEEHN CCC(C#N)C(=O)c1ccc(C)o1 36916075 343154231 /nfs/dbraw/zinc/15/42/31/343154231.db2.gz HLZYRLSDHUNZSQ-MRVPVSSYSA-N 0 3 177.203 2.321 10 30 AEEEHN CCC(C#N)C(=O)c1occc1C 36915913 343154320 /nfs/dbraw/zinc/15/43/20/343154320.db2.gz OGTRNTCIBBKKHQ-MRVPVSSYSA-N 0 3 177.203 2.321 10 30 AEEEHN CCC(C#N)C(=O)C(C)(C)C 36915999 343154395 /nfs/dbraw/zinc/15/43/95/343154395.db2.gz IFRCIPCFEYIYEO-SSDOTTSWSA-N 0 3 153.225 2.151 10 30 AEEEHN CCC(C#N)C(=O)C1CCCC1 36916095 343154403 /nfs/dbraw/zinc/15/44/03/343154403.db2.gz STQPYMXIKOTNOF-MRVPVSSYSA-N 0 3 165.236 2.295 10 30 AEEEHN CCC(C#N)C(=O)c1ccoc1 36915915 343154417 /nfs/dbraw/zinc/15/44/17/343154417.db2.gz VFKPWWNFXGKENM-SSDOTTSWSA-N 0 3 163.176 2.012 10 30 AEEEHN CC(C#N)C(=O)c1ccccc1F 36935027 343154968 /nfs/dbraw/zinc/15/49/68/343154968.db2.gz SUDXVLWSQAQDPX-SSDOTTSWSA-N 0 3 177.178 2.168 10 30 AEEEHN CC(C#N)C(=O)CC(C)(C)C 36931563 343155164 /nfs/dbraw/zinc/15/51/64/343155164.db2.gz PUYZITWDUNTSRR-SSDOTTSWSA-N 0 3 153.225 2.151 10 30 AEEEHN CC(C#N)C(=O)c1cccs1 36931615 343155243 /nfs/dbraw/zinc/15/52/43/343155243.db2.gz BJAACVPBBBEVFT-ZCFIWIBFSA-N 0 3 165.217 2.090 10 30 AEEEHN CC1CCN([C@@H]2CCC[C@@H]2C#N)CC1 37145565 343160848 /nfs/dbraw/zinc/16/08/48/343160848.db2.gz IZIWKVMWFBNHHY-VXGBXAGGSA-N 0 3 192.306 2.411 10 30 AEEEHN CCCCN(C)[C@H]1CCC[C@@H]1C#N 37146036 343160860 /nfs/dbraw/zinc/16/08/60/343160860.db2.gz ZSGVKOLNVHFRSJ-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CCCN(C)[C@H]1CCCC[C@@H]1C#N 37147163 343160878 /nfs/dbraw/zinc/16/08/78/343160878.db2.gz FKSRYHMBKDACDU-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CC1CCN([C@H]2CCC[C@@H]2C#N)CC1 37145566 343160920 /nfs/dbraw/zinc/16/09/20/343160920.db2.gz IZIWKVMWFBNHHY-NEPJUHHUSA-N 0 3 192.306 2.411 10 30 AEEEHN CC1CCN([C@@H]2CCC[C@H]2C#N)CC1 37145567 343160959 /nfs/dbraw/zinc/16/09/59/343160959.db2.gz IZIWKVMWFBNHHY-NWDGAFQWSA-N 0 3 192.306 2.411 10 30 AEEEHN CCCN(C)[C@@H]1CCC[C@@H]1C#N 37147160 343160982 /nfs/dbraw/zinc/16/09/82/343160982.db2.gz QNPIPJXVEUWNIB-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN CC1CCN([C@H]2CCC[C@H]2C#N)CC1 37145568 343161044 /nfs/dbraw/zinc/16/10/44/343161044.db2.gz IZIWKVMWFBNHHY-RYUDHWBXSA-N 0 3 192.306 2.411 10 30 AEEEHN CCCCN(C)[C@@H]1CCC[C@@H]1C#N 37146035 343161133 /nfs/dbraw/zinc/16/11/33/343161133.db2.gz ZSGVKOLNVHFRSJ-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CCCN(C)[C@H]1CCC[C@@H]1C#N 37147161 343161172 /nfs/dbraw/zinc/16/11/72/343161172.db2.gz QNPIPJXVEUWNIB-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN CC(C)C[C@H](C)NC[C@H](C)C#N 37264703 343164499 /nfs/dbraw/zinc/16/44/99/343164499.db2.gz YZIYJDYOEUUKFG-ZJUUUORDSA-N 0 3 168.284 2.170 10 30 AEEEHN CC(C)C[C@@H](C)NC[C@H](C)C#N 37264702 343164848 /nfs/dbraw/zinc/16/48/48/343164848.db2.gz YZIYJDYOEUUKFG-NXEZZACHSA-N 0 3 168.284 2.170 10 30 AEEEHN CC(C)C[C@H](C)NC[C@@H](C)C#N 37264701 343164862 /nfs/dbraw/zinc/16/48/62/343164862.db2.gz YZIYJDYOEUUKFG-UWVGGRQHSA-N 0 3 168.284 2.170 10 30 AEEEHN CC(C)C[C@@H](C)NC[C@@H](C)C#N 37264700 343164943 /nfs/dbraw/zinc/16/49/43/343164943.db2.gz YZIYJDYOEUUKFG-VHSXEESVSA-N 0 3 168.284 2.170 10 30 AEEEHN Cc1cc(C)c(C)c(C#CCN)c1C 37471011 343170116 /nfs/dbraw/zinc/17/01/16/343170116.db2.gz 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KLUTYOWAJGWIHK-JMJZKYOTSA-N 0 3 178.279 2.067 10 30 AEEEHN CC(C)[C@H](C)N[C@@H]1CCC[C@@H]1C#N 54824738 343329856 /nfs/dbraw/zinc/32/98/56/343329856.db2.gz XSUHUPHXJBAMMM-HBNTYKKESA-N 0 3 180.295 2.313 10 30 AEEEHN CCCCN[C@H]1CCC[C@H]1C#N 54823392 343329944 /nfs/dbraw/zinc/32/99/44/343329944.db2.gz FDWXPJRMGOSHPN-UWVGGRQHSA-N 0 3 166.268 2.068 10 30 AEEEHN CC[C@H](C)CN[C@@H]1CCC[C@@H]1C#N 54830146 343330253 /nfs/dbraw/zinc/33/02/53/343330253.db2.gz NLGFVKWGRQCMEO-HBNTYKKESA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@H](C)CN[C@H]1CCC[C@@H]1C#N 54830151 343330321 /nfs/dbraw/zinc/33/03/21/343330321.db2.gz NLGFVKWGRQCMEO-AXFHLTTASA-N 0 3 180.295 2.314 10 30 AEEEHN CC1(C)C[C@@H]1N[C@@H]1CCC[C@@H]1C#N 54828349 343330350 /nfs/dbraw/zinc/33/03/50/343330350.db2.gz BFRLUXUEIVPOJN-BBBLOLIVSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1C[C@@H]1N[C@@H]1CCCC[C@@H]1C#N 54829634 343330385 /nfs/dbraw/zinc/33/03/85/343330385.db2.gz CZVWYVWFFKMKCB-DBIOUOCHSA-N 0 3 178.279 2.067 10 30 AEEEHN C#CCN[C@H]1CCCc2sccc21 61324209 343356127 /nfs/dbraw/zinc/35/61/27/343356127.db2.gz QUHHZOQFNNVQJW-JTQLQIEISA-N 0 3 191.299 2.348 10 30 AEEEHN C#CCN[C@@H]1CCCc2sccc21 61324207 343356180 /nfs/dbraw/zinc/35/61/80/343356180.db2.gz QUHHZOQFNNVQJW-SNVBAGLBSA-N 0 3 191.299 2.348 10 30 AEEEHN CN(CC1CCC1)[C@H]1CCC[C@@H]1C#N 61457843 343356758 /nfs/dbraw/zinc/35/67/58/343356758.db2.gz LMWRDQCJKIYFOE-NEPJUHHUSA-N 0 3 192.306 2.411 10 30 AEEEHN CN(CC1CCC1)[C@@H]1CCC[C@@H]1C#N 61457841 343357030 /nfs/dbraw/zinc/35/70/30/343357030.db2.gz LMWRDQCJKIYFOE-VXGBXAGGSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@@H](CC#N)N[C@H]1CCCSC1 61589650 343357420 /nfs/dbraw/zinc/35/74/20/343357420.db2.gz LOVJKEDUJOGHKX-UWVGGRQHSA-N 0 3 198.335 2.164 10 30 AEEEHN CC[C@H](CC#N)N[C@H]1CCCSC1 61589651 343357425 /nfs/dbraw/zinc/35/74/25/343357425.db2.gz LOVJKEDUJOGHKX-ZJUUUORDSA-N 0 3 198.335 2.164 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1CCCSC1 61589649 343357432 /nfs/dbraw/zinc/35/74/32/343357432.db2.gz LOVJKEDUJOGHKX-NXEZZACHSA-N 0 3 198.335 2.164 10 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195.212 2.249 10 30 AEEEHN C#CC[C@@H](NC)c1ccccc1F 62774715 343379316 /nfs/dbraw/zinc/37/93/16/343379316.db2.gz KRQGCIZLOSBNQL-LLVKDONJSA-N 0 3 177.222 2.110 10 30 AEEEHN C#CC[C@H](NC)c1ccccc1F 62774714 343379355 /nfs/dbraw/zinc/37/93/55/343379355.db2.gz KRQGCIZLOSBNQL-NSHDSACASA-N 0 3 177.222 2.110 10 30 AEEEHN C#CC[C@@H](NC)c1ccc(F)cc1F 62774374 343379487 /nfs/dbraw/zinc/37/94/87/343379487.db2.gz ZIMQZDOPEFMNNN-LLVKDONJSA-N 0 3 195.212 2.249 10 30 AEEEHN CC(=N)Nc1cnc2ccccc2c1 62986868 343389693 /nfs/dbraw/zinc/38/96/93/343389693.db2.gz YMDQIGMIRBCLHW-UHFFFAOYSA-N 0 3 185.230 2.243 10 30 AEEEHN CC(C)(C)C(=N)Nc1cccnc1 62988281 343391866 /nfs/dbraw/zinc/39/18/66/343391866.db2.gz GWQVDFNMEBIXHU-UHFFFAOYSA-N 0 3 177.251 2.116 10 30 AEEEHN CCC(=N)Nc1cc(F)cc(F)c1 62989295 343392367 /nfs/dbraw/zinc/39/23/67/343392367.db2.gz QMJJVMALVRLTJR-UHFFFAOYSA-N 0 3 184.189 2.364 10 30 AEEEHN C[C@H](CC#N)N1CCCC1(C)C 63067208 343399831 /nfs/dbraw/zinc/39/98/31/343399831.db2.gz CZWDVRXLIWOINQ-SECBINFHSA-N 0 3 166.268 2.163 10 30 AEEEHN CSCCN[C@H]1CCCC[C@H]1C#N 69000307 343420495 /nfs/dbraw/zinc/42/04/95/343420495.db2.gz VMKRBLJIQSSVLO-UWVGGRQHSA-N 0 3 198.335 2.021 10 30 AEEEHN CSCCN[C@@H]1CCCC[C@@H]1C#N 69000300 343420720 /nfs/dbraw/zinc/42/07/20/343420720.db2.gz VMKRBLJIQSSVLO-NXEZZACHSA-N 0 3 198.335 2.021 10 30 AEEEHN CSCCN[C@H]1CCCC[C@@H]1C#N 69000302 343420830 /nfs/dbraw/zinc/42/08/30/343420830.db2.gz VMKRBLJIQSSVLO-ZJUUUORDSA-N 0 3 198.335 2.021 10 30 AEEEHN C#CCN[C@@H](C)c1sccc1C 69635785 343429971 /nfs/dbraw/zinc/42/99/71/343429971.db2.gz VLSHEXVIFMICOX-VIFPVBQESA-N 0 3 179.288 2.340 10 30 AEEEHN C#CCN[C@H](C)c1sccc1C 69635784 343430056 /nfs/dbraw/zinc/43/00/56/343430056.db2.gz VLSHEXVIFMICOX-SECBINFHSA-N 0 3 179.288 2.340 10 30 AEEEHN C[C@H](CC1CC1)N[C@H]1CCC[C@@H]1C#N 69665381 343431244 /nfs/dbraw/zinc/43/12/44/343431244.db2.gz OTDQMXUMRAHALJ-JLLWLGSASA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H](CC1CC1)N[C@@H]1CCC[C@@H]1C#N 69665375 343431524 /nfs/dbraw/zinc/43/15/24/343431524.db2.gz OTDQMXUMRAHALJ-YUSALJHKSA-N 0 3 192.306 2.457 10 30 AEEEHN C#CC(C)(C)NCc1ccc(F)cc1 69678523 343432226 /nfs/dbraw/zinc/43/22/26/343432226.db2.gz DKZYIPFYUXVPHF-UHFFFAOYSA-N 0 3 191.249 2.327 10 30 AEEEHN CC(C)(N)C#Cc1cccc(F)c1F 69678844 343432352 /nfs/dbraw/zinc/43/23/52/343432352.db2.gz DPEWBCRZPDNXSF-UHFFFAOYSA-N 0 3 195.212 2.054 10 30 AEEEHN CC(C)(N)C#Cc1ccc(F)cc1F 69678763 343432357 /nfs/dbraw/zinc/43/23/57/343432357.db2.gz XHYKAVQNYJDNJP-UHFFFAOYSA-N 0 3 195.212 2.054 10 30 AEEEHN C#CC(C)(C)NCc1ccccc1C 69679728 343432712 /nfs/dbraw/zinc/43/27/12/343432712.db2.gz UOCZKGRBLYYRHN-UHFFFAOYSA-N 0 3 187.286 2.496 10 30 AEEEHN C#CC(C)(C)NCc1ccc(C)cc1 69679732 343432803 /nfs/dbraw/zinc/43/28/03/343432803.db2.gz SZJFCRCQLKANLS-UHFFFAOYSA-N 0 3 187.286 2.496 10 30 AEEEHN C#CC(C)(C)NCc1cccs1 69680028 343432813 /nfs/dbraw/zinc/43/28/13/343432813.db2.gz QODYBRVRDDYGCW-UHFFFAOYSA-N 0 3 179.288 2.250 10 30 AEEEHN C#CC(C)(C)NCc1cccc(F)c1 69679715 343432828 /nfs/dbraw/zinc/43/28/28/343432828.db2.gz LRENVLZNPGKYSX-UHFFFAOYSA-N 0 3 191.249 2.327 10 30 AEEEHN CC(C)(N)C#Cc1c(F)cccc1F 69758746 343438927 /nfs/dbraw/zinc/43/89/27/343438927.db2.gz AOWNQWMQKZKLLJ-UHFFFAOYSA-N 0 3 195.212 2.054 10 30 AEEEHN C[C@H]1CSCCN1CCCCC#N 69760923 343439752 /nfs/dbraw/zinc/43/97/52/343439752.db2.gz ACWNJIHTJITSFQ-JTQLQIEISA-N 0 3 198.335 2.118 10 30 AEEEHN C[C@@H]1CSCCN1CCCCC#N 69760922 343439956 /nfs/dbraw/zinc/43/99/56/343439956.db2.gz ACWNJIHTJITSFQ-SNVBAGLBSA-N 0 3 198.335 2.118 10 30 AEEEHN C#CCCN[C@H]1CCCCC[C@H]1C#N 69769112 343440878 /nfs/dbraw/zinc/44/08/78/343440878.db2.gz IGVVONWRZHONSQ-RYUDHWBXSA-N 0 3 190.290 2.072 10 30 AEEEHN C#CCCN[C@@H]1CCCCC[C@@H]1C#N 69769101 343440898 /nfs/dbraw/zinc/44/08/98/343440898.db2.gz IGVVONWRZHONSQ-VXGBXAGGSA-N 0 3 190.290 2.072 10 30 AEEEHN C#CCCN[C@H]1CCCCC[C@@H]1C#N 69769106 343440915 /nfs/dbraw/zinc/44/09/15/343440915.db2.gz IGVVONWRZHONSQ-NEPJUHHUSA-N 0 3 190.290 2.072 10 30 AEEEHN C#CCCN[C@@H]1CCCCC[C@H]1C#N 69769109 343440925 /nfs/dbraw/zinc/44/09/25/343440925.db2.gz IGVVONWRZHONSQ-NWDGAFQWSA-N 0 3 190.290 2.072 10 30 AEEEHN C[C@H]1CCCCCN1C[C@@H](C)C#N 69944848 343459162 /nfs/dbraw/zinc/45/91/62/343459162.db2.gz XGAVLNBYRQZHGV-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H](C#N)CN1CCCCC[C@H]1C 69944847 343459580 /nfs/dbraw/zinc/45/95/80/343459580.db2.gz XGAVLNBYRQZHGV-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CCc1ccc(CC)c(C#CCN)c1 70006816 343465388 /nfs/dbraw/zinc/46/53/88/343465388.db2.gz OGEDTDKTTHWMBX-UHFFFAOYSA-N 0 3 187.286 2.122 10 30 AEEEHN Cc1cc(C#CCN)c(C)cc1Cl 70023754 343467590 /nfs/dbraw/zinc/46/75/90/343467590.db2.gz QVAZCUZBJDXVAF-UHFFFAOYSA-N 0 3 193.677 2.267 10 30 AEEEHN C=C(C)CN[C@@H]1COc2ccccc21 70068985 343473726 /nfs/dbraw/zinc/47/37/26/343473726.db2.gz SNHCHZWDEPUCJE-LLVKDONJSA-N 0 3 189.258 2.286 10 30 AEEEHN C=C(C)CN[C@H]1COc2ccccc21 70068986 343473829 /nfs/dbraw/zinc/47/38/29/343473829.db2.gz SNHCHZWDEPUCJE-NSHDSACASA-N 0 3 189.258 2.286 10 30 AEEEHN CC#CC[C@H]1NCCc2ccccc21 70534656 343489548 /nfs/dbraw/zinc/48/95/48/343489548.db2.gz JZKKOFCCHJVCNB-CYBMUJFWSA-N 0 3 185.270 2.287 10 30 AEEEHN CC#CC[C@@H]1NCCc2ccccc21 70534657 343489814 /nfs/dbraw/zinc/48/98/14/343489814.db2.gz JZKKOFCCHJVCNB-ZDUSSCGKSA-N 0 3 185.270 2.287 10 30 AEEEHN C=CCCOc1ccccc1CN 70591025 343498701 /nfs/dbraw/zinc/49/87/01/343498701.db2.gz IMIFGMSVULIEJB-UHFFFAOYSA-N 0 3 177.247 2.100 10 30 AEEEHN C=CCCCNCc1cc(C)no1 70592145 343499083 /nfs/dbraw/zinc/49/90/83/343499083.db2.gz RLKIIKDVGXMQNB-UHFFFAOYSA-N 0 3 180.251 2.039 10 30 AEEEHN C=CCC[C@@H](N)c1cccc(C)n1 70595118 343500175 /nfs/dbraw/zinc/50/01/75/343500175.db2.gz AMJMXRUNTLHPIR-SNVBAGLBSA-N 0 3 176.263 2.356 10 30 AEEEHN C=CCC[C@H](N)c1ccccn1 70594131 343500336 /nfs/dbraw/zinc/50/03/36/343500336.db2.gz AZAHRKGWKSDNEB-VIFPVBQESA-N 0 3 162.236 2.048 10 30 AEEEHN C=CCC[C@@H](N)c1ccccn1 70594132 343500355 /nfs/dbraw/zinc/50/03/55/343500355.db2.gz AZAHRKGWKSDNEB-SECBINFHSA-N 0 3 162.236 2.048 10 30 AEEEHN C=CCC[C@H](N)c1cccc(C)n1 70595119 343500373 /nfs/dbraw/zinc/50/03/73/343500373.db2.gz AMJMXRUNTLHPIR-JTQLQIEISA-N 0 3 176.263 2.356 10 30 AEEEHN C=CCn1c(CN)cc2ccccc21 70630824 343509676 /nfs/dbraw/zinc/50/96/76/343509676.db2.gz AXOVSSIOJLTZAU-UHFFFAOYSA-N 0 3 186.258 2.286 10 30 AEEEHN C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2C#N)C1 70644078 343515030 /nfs/dbraw/zinc/51/50/30/343515030.db2.gz PGQOLJCVQMGUTE-WISYIIOYSA-N 0 3 192.306 2.457 10 30 AEEEHN CCCC(=N)Nc1cnccc1C 70959740 343544836 /nfs/dbraw/zinc/54/48/36/343544836.db2.gz ROHQJYHCDFUQIE-UHFFFAOYSA-N 0 3 177.251 2.179 10 30 AEEEHN CC1(CNCCC#N)CCCC1 82625466 343608516 /nfs/dbraw/zinc/60/85/16/343608516.db2.gz BGIYITUNGMXRIH-UHFFFAOYSA-N 0 3 166.268 2.070 10 30 AEEEHN CC[C@H](N[C@@H]1CCC[C@@H]1C#N)C1CC1 83056491 343616119 /nfs/dbraw/zinc/61/61/19/343616119.db2.gz LRHTZNBDQQACMR-GRYCIOLGSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@H](N[C@H]1CCC[C@@H]1C#N)C1CC1 83056495 343616391 /nfs/dbraw/zinc/61/63/91/343616391.db2.gz LRHTZNBDQQACMR-WOPDTQHZSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H]1CCC[C@@H](NCCC#N)CC1 83427243 343619648 /nfs/dbraw/zinc/61/96/48/343619648.db2.gz JCFOMAYTZKLWDU-WDEREUQCSA-N 0 3 180.295 2.458 10 30 AEEEHN C[C@@H]1CCC[C@H](NCCC#N)CC1 83427240 343619760 /nfs/dbraw/zinc/61/97/60/343619760.db2.gz JCFOMAYTZKLWDU-MNOVXSKESA-N 0 3 180.295 2.458 10 30 AEEEHN C[C@H]1CCC[C@H](NCCC#N)CC1 83427241 343620068 /nfs/dbraw/zinc/62/00/68/343620068.db2.gz JCFOMAYTZKLWDU-QWRGUYRKSA-N 0 3 180.295 2.458 10 30 AEEEHN C[C@@H]1CCC[C@@H](NCCC#N)CC1 83427242 343620072 /nfs/dbraw/zinc/62/00/72/343620072.db2.gz JCFOMAYTZKLWDU-GHMZBOCLSA-N 0 3 180.295 2.458 10 30 AEEEHN N#CCC1(CN2CCCCC2)CC1 83862256 343626314 /nfs/dbraw/zinc/62/63/14/343626314.db2.gz DIPKWPXSQAIFAM-UHFFFAOYSA-N 0 3 178.279 2.166 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1NCCC1CC1 83894781 343627669 /nfs/dbraw/zinc/62/76/69/343627669.db2.gz XLLWAZYCLKPRKE-QWRGUYRKSA-N 0 3 178.279 2.068 10 30 AEEEHN N#C[C@H]1CCC[C@@H]1NCCC1CC1 83894780 343627676 /nfs/dbraw/zinc/62/76/76/343627676.db2.gz XLLWAZYCLKPRKE-MNOVXSKESA-N 0 3 178.279 2.068 10 30 AEEEHN N#C[C@@H]1CCCC[C@H]1NCCC1CC1 83894515 343627688 /nfs/dbraw/zinc/62/76/88/343627688.db2.gz BNMXEKWVXCXLND-NWDGAFQWSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@H]1CCC[C@H]1NCCC1CC1 83894778 343627743 /nfs/dbraw/zinc/62/77/43/343627743.db2.gz XLLWAZYCLKPRKE-GHMZBOCLSA-N 0 3 178.279 2.068 10 30 AEEEHN N#C[C@H]1CCCC[C@H]1NCCC1CC1 83894517 343627816 /nfs/dbraw/zinc/62/78/16/343627816.db2.gz BNMXEKWVXCXLND-VXGBXAGGSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCCC[C@@H]1NCCC1CC1 83894514 343627960 /nfs/dbraw/zinc/62/79/60/343627960.db2.gz BNMXEKWVXCXLND-RYUDHWBXSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCC[C@H]1NCCC1CC1 83894779 343628009 /nfs/dbraw/zinc/62/80/09/343628009.db2.gz XLLWAZYCLKPRKE-WDEREUQCSA-N 0 3 178.279 2.068 10 30 AEEEHN C[C@H]1C[C@@H]1NCc1cc(C#N)cs1 86500270 343652296 /nfs/dbraw/zinc/65/22/96/343652296.db2.gz VODGLOJXERLEOB-XVKPBYJWSA-N 0 3 192.287 2.118 10 30 AEEEHN C[C@@H]1C[C@H]1NCc1cc(C#N)cs1 86500271 343652314 /nfs/dbraw/zinc/65/23/14/343652314.db2.gz VODGLOJXERLEOB-GMSGAONNSA-N 0 3 192.287 2.118 10 30 AEEEHN C[C@@H]1C[C@@H]1NCc1cc(C#N)cs1 86500269 343652365 /nfs/dbraw/zinc/65/23/65/343652365.db2.gz VODGLOJXERLEOB-XCBNKYQSSA-N 0 3 192.287 2.118 10 30 AEEEHN C[C@H]1C[C@H]1NCc1cc(C#N)cs1 86500272 343652493 /nfs/dbraw/zinc/65/24/93/343652493.db2.gz VODGLOJXERLEOB-OIBJUYFYSA-N 0 3 192.287 2.118 10 30 AEEEHN CC1CN(Cc2ccc(C#N)cc2)C1 86681264 343654258 /nfs/dbraw/zinc/65/42/58/343654258.db2.gz DIIJBTWJZYORCO-UHFFFAOYSA-N 0 3 186.258 2.010 10 30 AEEEHN C[C@@H](C#N)CNC[C@@]1(C)CCCS1 87793656 343664984 /nfs/dbraw/zinc/66/49/84/343664984.db2.gz XFCIZDVNESLBAT-VHSXEESVSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@@H](C#N)CNC[C@]1(C)CCCS1 87793654 343665074 /nfs/dbraw/zinc/66/50/74/343665074.db2.gz XFCIZDVNESLBAT-UWVGGRQHSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@H](C#N)CNC[C@]1(C)CCCS1 87793653 343665085 /nfs/dbraw/zinc/66/50/85/343665085.db2.gz XFCIZDVNESLBAT-ZJUUUORDSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@H](C#N)CNC[C@@]1(C)CCCS1 87793655 343665301 /nfs/dbraw/zinc/66/53/01/343665301.db2.gz XFCIZDVNESLBAT-NXEZZACHSA-N 0 3 198.335 2.021 10 30 AEEEHN CCCCN1C=CC(S)C=C1 100233171 343713613 /nfs/dbraw/zinc/71/36/13/343713613.db2.gz PHZLIQRCRIAFQM-UHFFFAOYSA-N 0 3 169.293 2.428 10 30 AEEEHN C[C@H]1CN(CCCCC#N)CCS1 122511770 343779885 /nfs/dbraw/zinc/77/98/85/343779885.db2.gz ZAZOKPPVIPJOJT-JTQLQIEISA-N 0 3 198.335 2.118 10 30 AEEEHN CC1CC(N[C@@H]2CCCC[C@@H]2C#N)C1 123401726 343783179 /nfs/dbraw/zinc/78/31/79/343783179.db2.gz QLUNYMKHSKBKIY-RUJICJSRSA-N 0 3 192.306 2.457 10 30 AEEEHN CC1CC(N[C@H]2CCCC[C@@H]2C#N)C1 123401966 343783198 /nfs/dbraw/zinc/78/31/98/343783198.db2.gz QLUNYMKHSKBKIY-RSJDFQLWSA-N 0 3 192.306 2.457 10 30 AEEEHN CC1CC(N[C@@H]2CCCC[C@H]2C#N)C1 123402192 343783579 /nfs/dbraw/zinc/78/35/79/343783579.db2.gz QLUNYMKHSKBKIY-POSLAHMBSA-N 0 3 192.306 2.457 10 30 AEEEHN CC1CC(N[C@H]2CCCC[C@H]2C#N)C1 123402439 343783611 /nfs/dbraw/zinc/78/36/11/343783611.db2.gz QLUNYMKHSKBKIY-ADPBJBESSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H](N[C@@H]1CCC[C@@H]1C#N)C1CCC1 124089155 343785900 /nfs/dbraw/zinc/78/59/00/343785900.db2.gz TYAAAQAOLANRCB-MVWJERBFSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H](N[C@H]1CCC[C@@H]1C#N)C1CCC1 124089619 343785992 /nfs/dbraw/zinc/78/59/92/343785992.db2.gz TYAAAQAOLANRCB-WCQGTBRESA-N 0 3 192.306 2.457 10 30 AEEEHN C=C[C@H](C)NCc1ccccc1 126147469 343792715 /nfs/dbraw/zinc/79/27/15/343792715.db2.gz BYKRLCFQIFAXOU-JTQLQIEISA-N 0 3 161.248 2.351 10 30 AEEEHN C=C[C@@H](C)NCc1ccccc1 126147729 343792847 /nfs/dbraw/zinc/79/28/47/343792847.db2.gz BYKRLCFQIFAXOU-SNVBAGLBSA-N 0 3 161.248 2.351 10 30 AEEEHN C=CCn1c(C)nc(C2CCC2)c1N 127236830 343808021 /nfs/dbraw/zinc/80/80/21/343808021.db2.gz CBJLGQODNHNCTP-UHFFFAOYSA-N 0 3 191.278 2.227 10 30 AEEEHN C[C@@H](NC1CC1)c1ccc(C#N)s1 127392204 343810781 /nfs/dbraw/zinc/81/07/81/343810781.db2.gz HZNRWYHVIUDPBR-SSDOTTSWSA-N 0 3 192.287 2.433 10 30 AEEEHN C[C@H](NC1CC1)c1ccc(C#N)s1 127391985 343811299 /nfs/dbraw/zinc/81/12/99/343811299.db2.gz HZNRWYHVIUDPBR-ZETCQYMHSA-N 0 3 192.287 2.433 10 30 AEEEHN C#CCC[C@H](N)c1ccc(C)o1 127809997 343819732 /nfs/dbraw/zinc/81/97/32/343819732.db2.gz YPZWGOHXTGRLGG-VIFPVBQESA-N 0 3 163.220 2.001 10 30 AEEEHN C#CCC[C@@H](N)c1ccc(C)o1 127809763 343819750 /nfs/dbraw/zinc/81/97/50/343819750.db2.gz YPZWGOHXTGRLGG-SECBINFHSA-N 0 3 163.220 2.001 10 30 AEEEHN CC[C@@H]1CN(CCCC#N)CCS1 128508574 343832631 /nfs/dbraw/zinc/83/26/31/343832631.db2.gz HQOHYTBIARGCIL-SNVBAGLBSA-N 0 3 198.335 2.118 10 30 AEEEHN CC[C@H]1CN(CCCC#N)CCS1 128508810 343832759 /nfs/dbraw/zinc/83/27/59/343832759.db2.gz HQOHYTBIARGCIL-JTQLQIEISA-N 0 3 198.335 2.118 10 30 AEEEHN C#CC[C@@H](N)c1coc2ccccc12 128684813 343835875 /nfs/dbraw/zinc/83/58/75/343835875.db2.gz GPLWYZWWDIYYLN-LLVKDONJSA-N 0 3 185.226 2.456 10 30 AEEEHN C#CC[C@H](N)c1coc2ccccc12 128684595 343836186 /nfs/dbraw/zinc/83/61/86/343836186.db2.gz GPLWYZWWDIYYLN-NSHDSACASA-N 0 3 185.226 2.456 10 30 AEEEHN C#C[C@@H](NC)c1cccc(C)c1C 130033370 343860384 /nfs/dbraw/zinc/86/03/84/343860384.db2.gz UOFPMYXFHVCFAL-GFCCVEGCSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@H](NC)c1cc2c(s1)CCC2 130036847 343860493 /nfs/dbraw/zinc/86/04/93/343860493.db2.gz XXICQGOKTPUQRO-VIFPVBQESA-N 0 3 191.299 2.131 10 30 AEEEHN C#C[C@@H](NC)c1cc2c(s1)CCC2 130037027 343860643 /nfs/dbraw/zinc/86/06/43/343860643.db2.gz XXICQGOKTPUQRO-SECBINFHSA-N 0 3 191.299 2.131 10 30 AEEEHN C#C[C@H](NC)c1cccc(C)c1C 130033588 343860774 /nfs/dbraw/zinc/86/07/74/343860774.db2.gz UOFPMYXFHVCFAL-LBPRGKRZSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@@H](NC)c1cc(C)cc(C)c1 130080699 343861680 /nfs/dbraw/zinc/86/16/80/343861680.db2.gz ADFVJSCYBZCRPQ-GFCCVEGCSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@H](NC)c1ccc(C)cc1C 130081718 343861855 /nfs/dbraw/zinc/86/18/55/343861855.db2.gz SERPJBNTJKFALI-LBPRGKRZSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@@H](NC)c1ccc(C)cc1C 130081512 343862064 /nfs/dbraw/zinc/86/20/64/343862064.db2.gz SERPJBNTJKFALI-GFCCVEGCSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@H](NC)c1cc(C)cc(C)c1 130080870 343862097 /nfs/dbraw/zinc/86/20/97/343862097.db2.gz ADFVJSCYBZCRPQ-LBPRGKRZSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@H](N)c1ccc(C)c(Cl)c1 130129387 343862419 /nfs/dbraw/zinc/86/24/19/343862419.db2.gz XBZHHFVVCGJAMY-JTQLQIEISA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@@H](NC)c1ccc(C)c(C)c1 130121411 343862472 /nfs/dbraw/zinc/86/24/72/343862472.db2.gz QDWNUNDQHFMXFV-GFCCVEGCSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@H](NC)c1ccc(C)c(C)c1 130121604 343862796 /nfs/dbraw/zinc/86/27/96/343862796.db2.gz QDWNUNDQHFMXFV-LBPRGKRZSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@@H](N)c1ccc(C)c(Cl)c1 130129227 343862808 /nfs/dbraw/zinc/86/28/08/343862808.db2.gz XBZHHFVVCGJAMY-SNVBAGLBSA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@@H](NC)c1cc(C)c(C)s1 130150283 343863198 /nfs/dbraw/zinc/86/31/98/343863198.db2.gz GZSJYZIKKBMEHZ-SECBINFHSA-N 0 3 179.288 2.259 10 30 AEEEHN C#C[C@H](NC)c1cc(C)c(C)s1 130150506 343863396 /nfs/dbraw/zinc/86/33/96/343863396.db2.gz GZSJYZIKKBMEHZ-VIFPVBQESA-N 0 3 179.288 2.259 10 30 AEEEHN C#C[C@H](NC)c1sccc1CC 130134624 343863466 /nfs/dbraw/zinc/86/34/66/343863466.db2.gz COSNAVMSHRIMKY-VIFPVBQESA-N 0 3 179.288 2.204 10 30 AEEEHN C#C[C@@H](NC)c1sccc1CC 130134469 343863480 /nfs/dbraw/zinc/86/34/80/343863480.db2.gz COSNAVMSHRIMKY-SECBINFHSA-N 0 3 179.288 2.204 10 30 AEEEHN C#C[C@H](N)c1cccc(C)c1Cl 130184426 343863648 /nfs/dbraw/zinc/86/36/48/343863648.db2.gz MZOGUVJVHKSBLA-VIFPVBQESA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@H](N)c1ccc(Cl)c(C)c1 130178469 343863747 /nfs/dbraw/zinc/86/37/47/343863747.db2.gz JPFYHXHIPKSPER-JTQLQIEISA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@@H](N)c1cccc(C)c1Cl 130184206 343863869 /nfs/dbraw/zinc/86/38/69/343863869.db2.gz MZOGUVJVHKSBLA-SECBINFHSA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@@H](N)c1ccc(Cl)c(C)c1 130178273 343863899 /nfs/dbraw/zinc/86/38/99/343863899.db2.gz JPFYHXHIPKSPER-SNVBAGLBSA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@H](N)c1cc(Cl)ccc1C 130185283 343864210 /nfs/dbraw/zinc/86/42/10/343864210.db2.gz CWWQBNLUOZXFLM-JTQLQIEISA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@H](N)c1c(C)cc(C)cc1C 130197596 343864222 /nfs/dbraw/zinc/86/42/22/343864222.db2.gz QSYJOQQFQOKMAC-NSHDSACASA-N 0 3 173.259 2.245 10 30 AEEEHN C#C[C@@H](N)c1cc(Cl)ccc1C 130185083 343864265 /nfs/dbraw/zinc/86/42/65/343864265.db2.gz CWWQBNLUOZXFLM-SNVBAGLBSA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@H](NC)c1cc(C)ccc1C 130192910 343864356 /nfs/dbraw/zinc/86/43/56/343864356.db2.gz GYKQPSNDHYQOHU-LBPRGKRZSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@@H](N)c1c(C)cc(C)cc1C 130197385 343864370 /nfs/dbraw/zinc/86/43/70/343864370.db2.gz QSYJOQQFQOKMAC-LLVKDONJSA-N 0 3 173.259 2.245 10 30 AEEEHN C#C[C@@H](NC)c1cc(C)ccc1C 130192707 343864613 /nfs/dbraw/zinc/86/46/13/343864613.db2.gz GYKQPSNDHYQOHU-GFCCVEGCSA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@H](N)c1ccc(SC)cc1 130277180 343865532 /nfs/dbraw/zinc/86/55/32/343865532.db2.gz VUVJATZXARRHSX-JTQLQIEISA-N 0 3 177.272 2.042 10 30 AEEEHN C#C[C@@H](N)c1ccc(SC)cc1 130276999 343865697 /nfs/dbraw/zinc/86/56/97/343865697.db2.gz VUVJATZXARRHSX-SNVBAGLBSA-N 0 3 177.272 2.042 10 30 AEEEHN C#C[C@@H](N)c1cc(C)cc(Cl)c1 130324483 343866937 /nfs/dbraw/zinc/86/69/37/343866937.db2.gz ULYVGPADSKGTLN-SNVBAGLBSA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@H](N)c1cc(C)cc(Cl)c1 130324707 343867109 /nfs/dbraw/zinc/86/71/09/343867109.db2.gz ULYVGPADSKGTLN-JTQLQIEISA-N 0 3 179.650 2.281 10 30 AEEEHN C=C[C@@H](N)c1cc(C)c(F)cc1F 130498884 343869099 /nfs/dbraw/zinc/86/90/99/343869099.db2.gz GOMOAGJJVXRGCQ-SNVBAGLBSA-N 0 3 183.201 2.459 10 30 AEEEHN C=C[C@H](N)c1cc(C)c(F)cc1F 130499123 343869397 /nfs/dbraw/zinc/86/93/97/343869397.db2.gz GOMOAGJJVXRGCQ-JTQLQIEISA-N 0 3 183.201 2.459 10 30 AEEEHN C=C[C@@H](N)c1sccc1CC 130530633 343869746 /nfs/dbraw/zinc/86/97/46/343869746.db2.gz UXNSUBFKTNSPHN-MRVPVSSYSA-N 0 3 167.277 2.496 10 30 AEEEHN C=C[C@H](NC)c1coc(C)c1 130513085 343869769 /nfs/dbraw/zinc/86/97/69/343869769.db2.gz AFVOVKOCEXZJJQ-VIFPVBQESA-N 0 3 151.209 2.035 10 30 AEEEHN C=C[C@H](N)c1sccc1CC 130530820 343869775 /nfs/dbraw/zinc/86/97/75/343869775.db2.gz UXNSUBFKTNSPHN-QMMMGPOBSA-N 0 3 167.277 2.496 10 30 AEEEHN C=C[C@H](N)c1cc2c(s1)CCC2 130521432 343869952 /nfs/dbraw/zinc/86/99/52/343869952.db2.gz CJGYSAYZVXXKNR-QMMMGPOBSA-N 0 3 179.288 2.423 10 30 AEEEHN C=C[C@@H](N)c1cc2c(s1)CCC2 130521644 343870000 /nfs/dbraw/zinc/87/00/00/343870000.db2.gz CJGYSAYZVXXKNR-MRVPVSSYSA-N 0 3 179.288 2.423 10 30 AEEEHN C=C[C@@H](NC)c1coc(C)c1 130512866 343870016 /nfs/dbraw/zinc/87/00/16/343870016.db2.gz AFVOVKOCEXZJJQ-SECBINFHSA-N 0 3 151.209 2.035 10 30 AEEEHN C=C[C@H](NC)c1cc(C)oc1C 130554049 343870256 /nfs/dbraw/zinc/87/02/56/343870256.db2.gz CZSPKHSDJUXTOT-JTQLQIEISA-N 0 3 165.236 2.343 10 30 AEEEHN C=C[C@H](N)c1c(C)oc(C)c1C 130560842 343870304 /nfs/dbraw/zinc/87/03/04/343870304.db2.gz RGVFQWCUPJMRAZ-VIFPVBQESA-N 0 3 165.236 2.391 10 30 AEEEHN C=C[C@@H](N)c1c(C)oc(C)c1C 130560626 343870356 /nfs/dbraw/zinc/87/03/56/343870356.db2.gz RGVFQWCUPJMRAZ-SECBINFHSA-N 0 3 165.236 2.391 10 30 AEEEHN C=C[C@@H](NC)c1cc(C)oc1C 130553862 343870368 /nfs/dbraw/zinc/87/03/68/343870368.db2.gz CZSPKHSDJUXTOT-SNVBAGLBSA-N 0 3 165.236 2.343 10 30 AEEEHN C=C(C)C[C@@H](N)c1ncccc1F 131330125 343883943 /nfs/dbraw/zinc/88/39/43/343883943.db2.gz OWJLRUQYPAQXSZ-SECBINFHSA-N 0 3 180.226 2.187 10 30 AEEEHN C=C(C)[C@H](N)c1coc(C)c1 131333149 343884045 /nfs/dbraw/zinc/88/40/45/343884045.db2.gz SWSKNENSNUEYIW-VIFPVBQESA-N 0 3 151.209 2.164 10 30 AEEEHN C=C(C)C[C@H](N)c1ncccc1F 131329910 343884135 /nfs/dbraw/zinc/88/41/35/343884135.db2.gz OWJLRUQYPAQXSZ-VIFPVBQESA-N 0 3 180.226 2.187 10 30 AEEEHN C=C(C)[C@@H](N)c1coc(C)c1 131332948 343884141 /nfs/dbraw/zinc/88/41/41/343884141.db2.gz SWSKNENSNUEYIW-SECBINFHSA-N 0 3 151.209 2.164 10 30 AEEEHN C=C(C)[C@@H](N)c1cc(C)oc1C 131381102 343885156 /nfs/dbraw/zinc/88/51/56/343885156.db2.gz SFURJNKUCNNYAY-SNVBAGLBSA-N 0 3 165.236 2.472 10 30 AEEEHN C=C(C)[C@H](N)c1cc(C)oc1C 131381288 343885475 /nfs/dbraw/zinc/88/54/75/343885475.db2.gz SFURJNKUCNNYAY-JTQLQIEISA-N 0 3 165.236 2.472 10 30 AEEEHN C=C(Cl)CNC1CC=CC1 132887376 343906888 /nfs/dbraw/zinc/90/68/88/343906888.db2.gz AWKNLKNVLHGOEB-UHFFFAOYSA-N 0 3 157.644 2.047 10 30 AEEEHN C=C(C)[C@@H](NC)c1ccncc1C 132934810 343907576 /nfs/dbraw/zinc/90/75/76/343907576.db2.gz HKILQJHFSNIPOL-LLVKDONJSA-N 0 3 176.263 2.227 10 30 AEEEHN CC#CC[C@@H](NC)c1ccncc1C 132924938 343907736 /nfs/dbraw/zinc/90/77/36/343907736.db2.gz YROGAHVVZRISMO-GFCCVEGCSA-N 0 3 188.274 2.064 10 30 AEEEHN C=C(C)[C@H](NC)c1ccncc1C 132934984 343907810 /nfs/dbraw/zinc/90/78/10/343907810.db2.gz HKILQJHFSNIPOL-NSHDSACASA-N 0 3 176.263 2.227 10 30 AEEEHN CC#CC[C@H](NC)c1ccncc1C 132924736 343907897 /nfs/dbraw/zinc/90/78/97/343907897.db2.gz YROGAHVVZRISMO-LBPRGKRZSA-N 0 3 188.274 2.064 10 30 AEEEHN CC#CC[C@@H](N)c1ccncc1CC 132972743 343908635 /nfs/dbraw/zinc/90/86/35/343908635.db2.gz XSRGDLNVLMQTOE-GFCCVEGCSA-N 0 3 188.274 2.057 10 30 AEEEHN CC#CC[C@H](N)c1ccncc1CC 132972945 343909002 /nfs/dbraw/zinc/90/90/02/343909002.db2.gz XSRGDLNVLMQTOE-LBPRGKRZSA-N 0 3 188.274 2.057 10 30 AEEEHN C=C(C)[C@H](N)c1ccncc1CC 132983375 343909210 /nfs/dbraw/zinc/90/92/10/343909210.db2.gz WXJUNEAHIQXXER-NSHDSACASA-N 0 3 176.263 2.220 10 30 AEEEHN C=C(C)[C@@H](N)c1ccncc1CC 132983198 343909252 /nfs/dbraw/zinc/90/92/52/343909252.db2.gz WXJUNEAHIQXXER-LLVKDONJSA-N 0 3 176.263 2.220 10 30 AEEEHN C#C[C@@H](C)N[C@H](C)c1ccc(F)cc1 134038814 343932403 /nfs/dbraw/zinc/93/24/03/343932403.db2.gz SCNZGUCGNQQGMG-NXEZZACHSA-N 0 3 191.249 2.498 10 30 AEEEHN CC#CC[C@@H](N)c1ncccc1CC 134618422 343947295 /nfs/dbraw/zinc/94/72/95/343947295.db2.gz FNGULUJSZWOSCQ-LLVKDONJSA-N 0 3 188.274 2.057 10 30 AEEEHN C=C(C)[C@@H](N)c1ncccc1CC 134617858 343947315 /nfs/dbraw/zinc/94/73/15/343947315.db2.gz ULWVLDNXHAIXOE-SNVBAGLBSA-N 0 3 176.263 2.220 10 30 AEEEHN CCN[C@@H](C)c1ccc(C#N)cc1F 134739235 343949201 /nfs/dbraw/zinc/94/92/01/343949201.db2.gz XLMWAIUQCLHRIW-QMMMGPOBSA-N 0 3 192.237 2.368 10 30 AEEEHN CC(C)=CC(=O)C1(N)CCCCC1 135403648 343961515 /nfs/dbraw/zinc/96/15/15/343961515.db2.gz BDQQKNAKCDTTMC-UHFFFAOYSA-N 0 3 181.279 2.183 10 30 AEEEHN C=C(C)C(=O)[C@]1(N)CCC[C@H](C)C1 135418154 343962435 /nfs/dbraw/zinc/96/24/35/343962435.db2.gz OGIFOAMQINKOHA-ONGXEEELSA-N 0 3 181.279 2.039 10 30 AEEEHN CC(C)=CC(=O)[C@@H]1CCCCCN1 135420498 343962457 /nfs/dbraw/zinc/96/24/57/343962457.db2.gz RDDXSSAKUQLAQB-JTQLQIEISA-N 0 3 181.279 2.054 10 30 AEEEHN C=C(C)C(=O)[C@@]1(N)CCC[C@H](C)C1 135418115 343962460 /nfs/dbraw/zinc/96/24/60/343962460.db2.gz OGIFOAMQINKOHA-GXSJLCMTSA-N 0 3 181.279 2.039 10 30 AEEEHN C=C(C)C(=O)[C@@]1(N)CCC[C@@H](C)C1 135418096 343962531 /nfs/dbraw/zinc/96/25/31/343962531.db2.gz OGIFOAMQINKOHA-MWLCHTKSSA-N 0 3 181.279 2.039 10 30 AEEEHN C=C(C)C(=O)[C@]1(N)CCC[C@@H](C)C1 135418133 343962543 /nfs/dbraw/zinc/96/25/43/343962543.db2.gz OGIFOAMQINKOHA-KOLCDFICSA-N 0 3 181.279 2.039 10 30 AEEEHN C=C(C)C(=O)c1ccc2c(c1)CNC2 135436947 343963307 /nfs/dbraw/zinc/96/33/07/343963307.db2.gz GDMARWSIKMWMPI-UHFFFAOYSA-N 0 3 187.242 2.049 10 30 AEEEHN CC(C)=CC(=O)[C@]1(C)CCCCN1 135437463 343963337 /nfs/dbraw/zinc/96/33/37/343963337.db2.gz YOBHTNMFIZWWPM-NSHDSACASA-N 0 3 181.279 2.054 10 30 AEEEHN CC(C)=CC(=O)[C@@]1(C)CCCCN1 135437481 343963377 /nfs/dbraw/zinc/96/33/77/343963377.db2.gz YOBHTNMFIZWWPM-LLVKDONJSA-N 0 3 181.279 2.054 10 30 AEEEHN C[C@H](NCc1ccc(C#N)o1)C1CC1 135481156 343964228 /nfs/dbraw/zinc/96/42/28/343964228.db2.gz GHORAKJKJOJEBQ-QMMMGPOBSA-N 0 3 190.246 2.039 10 30 AEEEHN C[C@H]1C[C@@H]1NCc1ccc(C#N)s1 135499009 343964593 /nfs/dbraw/zinc/96/45/93/343964593.db2.gz CTBJQHQUNVIZEK-XVKPBYJWSA-N 0 3 192.287 2.118 10 30 AEEEHN C=C(C)C[C@H](N)c1ccncc1F 135840501 343968356 /nfs/dbraw/zinc/96/83/56/343968356.db2.gz WQZPNXFNNIEXPT-JTQLQIEISA-N 0 3 180.226 2.187 10 30 AEEEHN C=C(C)C[C@@H](N)c1ccncc1F 135840532 343968391 /nfs/dbraw/zinc/96/83/91/343968391.db2.gz WQZPNXFNNIEXPT-SNVBAGLBSA-N 0 3 180.226 2.187 10 30 AEEEHN CC[C@@H]1CC[C@H](C)N1C[C@@H](C)C#N 136156817 343975708 /nfs/dbraw/zinc/97/57/08/343975708.db2.gz OHYSKQXXWRIKRJ-GARJFASQSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@@H]1CC[C@@H](C)N1C[C@@H](C)C#N 136156885 343975813 /nfs/dbraw/zinc/97/58/13/343975813.db2.gz OHYSKQXXWRIKRJ-HBNTYKKESA-N 0 3 180.295 2.409 10 30 AEEEHN C=CC[C@@H](N)c1scnc1C 136943333 343982821 /nfs/dbraw/zinc/98/28/21/343982821.db2.gz ACQRRSSHKNSCSB-SSDOTTSWSA-N 0 3 168.265 2.027 10 30 AEEEHN C=CC[C@H](N)c1scnc1C 136943363 343982846 /nfs/dbraw/zinc/98/28/46/343982846.db2.gz ACQRRSSHKNSCSB-ZETCQYMHSA-N 0 3 168.265 2.027 10 30 AEEEHN C=C[C@H](C)Nc1ccncc1 137905735 343987392 /nfs/dbraw/zinc/98/73/92/343987392.db2.gz HSEZBRURBVOXFU-QMMMGPOBSA-N 0 3 148.209 2.068 10 30 AEEEHN C=C[C@@H](C)Nc1ccncc1 137905828 343987397 /nfs/dbraw/zinc/98/73/97/343987397.db2.gz HSEZBRURBVOXFU-MRVPVSSYSA-N 0 3 148.209 2.068 10 30 AEEEHN C=C(C)[C@@](F)(CN)C(C)(C)C 156496775 344089393 /nfs/dbraw/zinc/08/93/93/344089393.db2.gz FXTIVQCGTPYGBT-VIFPVBQESA-N 0 3 159.248 2.276 10 30 AEEEHN C=C(C)[C@](F)(CN)C(C)(C)C 156496902 344089573 /nfs/dbraw/zinc/08/95/73/344089573.db2.gz FXTIVQCGTPYGBT-SECBINFHSA-N 0 3 159.248 2.276 10 30 AEEEHN CC[C@H](CC#N)N1C[C@H](C)C[C@@H]1C 157839336 344115510 /nfs/dbraw/zinc/11/55/10/344115510.db2.gz ONTCSEAJZFPKRP-OUAUKWLOSA-N 0 3 180.295 2.409 10 30 AEEEHN C=C(C)[C@](F)(CN)c1ccccc1 158362553 344124814 /nfs/dbraw/zinc/12/48/14/344124814.db2.gz YDOHXIWCWFZFKQ-LLVKDONJSA-N 0 3 179.238 2.386 10 30 AEEEHN C=C(C)[C@@](F)(CN)c1ccccc1 158362399 344125197 /nfs/dbraw/zinc/12/51/97/344125197.db2.gz YDOHXIWCWFZFKQ-NSHDSACASA-N 0 3 179.238 2.386 10 30 AEEEHN C#Cc1nc([C@@H](N)C(C)C)sc1C 159699061 344150342 /nfs/dbraw/zinc/15/03/42/344150342.db2.gz BILKMZVCUJOMSV-VIFPVBQESA-N 0 3 194.303 2.089 10 30 AEEEHN C#Cc1nc([C@@H](N)CCC)sc1C 159698368 344150368 /nfs/dbraw/zinc/15/03/68/344150368.db2.gz BRRGZLXXNCPJPB-QMMMGPOBSA-N 0 3 194.303 2.233 10 30 AEEEHN C#Cc1nc([C@H](N)C(C)C)sc1C 159698909 344150384 /nfs/dbraw/zinc/15/03/84/344150384.db2.gz BILKMZVCUJOMSV-SECBINFHSA-N 0 3 194.303 2.089 10 30 AEEEHN C#Cc1nc([C@H](N)CCC)sc1C 159698515 344150396 /nfs/dbraw/zinc/15/03/96/344150396.db2.gz BRRGZLXXNCPJPB-MRVPVSSYSA-N 0 3 194.303 2.233 10 30 AEEEHN C#Cc1csc(CNC(C)(C)C)n1 159708946 344150674 /nfs/dbraw/zinc/15/06/74/344150674.db2.gz RBPMTTJIHUSLSN-UHFFFAOYSA-N 0 3 194.303 2.013 10 30 AEEEHN C#Cc1nc([C@@](C)(N)CC)sc1C 159700312 344150831 /nfs/dbraw/zinc/15/08/31/344150831.db2.gz RCEAOIOPYHIRHW-JTQLQIEISA-N 0 3 194.303 2.017 10 30 AEEEHN C#Cc1csc(C(N)(CC)CC)n1 159701005 344150874 /nfs/dbraw/zinc/15/08/74/344150874.db2.gz ZMECKEMGRASXHX-UHFFFAOYSA-N 0 3 194.303 2.098 10 30 AEEEHN C#Cc1nc([C@](C)(N)CC)sc1C 159700440 344150888 /nfs/dbraw/zinc/15/08/88/344150888.db2.gz RCEAOIOPYHIRHW-SNVBAGLBSA-N 0 3 194.303 2.017 10 30 AEEEHN CN[C@H](C)c1ccc(C#N)cc1Cl 159740367 344151532 /nfs/dbraw/zinc/15/15/32/344151532.db2.gz VRGNITDFNMXFSW-SSDOTTSWSA-N 0 3 194.665 2.492 10 30 AEEEHN CN[C@@H](C)c1ccc(C#N)cc1Cl 159740242 344151672 /nfs/dbraw/zinc/15/16/72/344151672.db2.gz VRGNITDFNMXFSW-ZETCQYMHSA-N 0 3 194.665 2.492 10 30 AEEEHN C=C(C)C(=O)C1C[C@@H]2CC[C@H](C1)N2C 160420548 344165647 /nfs/dbraw/zinc/16/56/47/344165647.db2.gz QABJHAWMNAMOTG-FGWVZKOKSA-N 0 3 193.290 2.004 10 30 AEEEHN CCN1CCC/C(=C\C(C)=O)CC1 160480122 344166879 /nfs/dbraw/zinc/16/68/79/344166879.db2.gz PUTCLFDDQKAHEI-PKNBQFBNSA-N 0 3 181.279 2.008 10 30 AEEEHN CC(=O)C=C1CCN(C(C)C)CC1 160478376 344167094 /nfs/dbraw/zinc/16/70/94/344167094.db2.gz MWXXXTMGGHJHGH-UHFFFAOYSA-N 0 3 181.279 2.006 10 30 AEEEHN CCCN1CCC(=CC(C)=O)CC1 160491458 344167667 /nfs/dbraw/zinc/16/76/67/344167667.db2.gz TXPZTYZXLJFWHG-UHFFFAOYSA-N 0 3 181.279 2.008 10 30 AEEEHN C=CC[C@H](N)c1ccoc1C 163779840 344229662 /nfs/dbraw/zinc/22/96/62/344229662.db2.gz NFYYNIUOMWDXND-VIFPVBQESA-N 0 3 151.209 2.164 10 30 AEEEHN C=CC[C@@H](N)c1ccoc1C 163779720 344229715 /nfs/dbraw/zinc/22/97/15/344229715.db2.gz NFYYNIUOMWDXND-SECBINFHSA-N 0 3 151.209 2.164 10 30 AEEEHN CC#CCNCc1ccc(F)c(C)c1 160580340 344170383 /nfs/dbraw/zinc/17/03/83/344170383.db2.gz KSDZSUKSPZBXKF-UHFFFAOYSA-N 0 3 191.249 2.247 10 30 AEEEHN C#C[C@@H](N)C1(OCC)CCCCCC1 160648926 344172756 /nfs/dbraw/zinc/17/27/56/344172756.db2.gz XAYCRXTVKYXGRT-LLVKDONJSA-N 0 3 195.306 2.076 10 30 AEEEHN CC#CCC[C@H](N)c1ccoc1 161129738 344185650 /nfs/dbraw/zinc/18/56/50/344185650.db2.gz KGZXVZLZGDWPSY-JTQLQIEISA-N 0 3 163.220 2.083 10 30 AEEEHN CC#CCC[C@@H](N)c1ncccc1F 161270904 344188151 /nfs/dbraw/zinc/18/81/51/344188151.db2.gz UEMMZNIRDAHJSR-SNVBAGLBSA-N 0 3 192.237 2.024 10 30 AEEEHN CC#CCC[C@H](N)c1ncccc1F 161270762 344188301 /nfs/dbraw/zinc/18/83/01/344188301.db2.gz UEMMZNIRDAHJSR-JTQLQIEISA-N 0 3 192.237 2.024 10 30 AEEEHN N#C[C@H]1CCC[C@@H]1NCCC1CCC1 162481767 344208993 /nfs/dbraw/zinc/20/89/93/344208993.db2.gz CWXHQFLQBVWCKH-NEPJUHHUSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCC[C@H]1NCCC1CCC1 162481900 344209022 /nfs/dbraw/zinc/20/90/22/344209022.db2.gz CWXHQFLQBVWCKH-NWDGAFQWSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@H]1CCC[C@H]1NCCC1CCC1 162481622 344209155 /nfs/dbraw/zinc/20/91/55/344209155.db2.gz CWXHQFLQBVWCKH-VXGBXAGGSA-N 0 3 192.306 2.458 10 30 AEEEHN C#C[C@H](N)[C@H]1CCCc2sccc21 163732161 344228348 /nfs/dbraw/zinc/22/83/48/344228348.db2.gz HKYXSPLYQNSZHC-WPRPVWTQSA-N 0 3 191.299 2.129 10 30 AEEEHN C#C[C@@H](N)[C@H]1CCCc2sccc21 163732266 344228465 /nfs/dbraw/zinc/22/84/65/344228465.db2.gz HKYXSPLYQNSZHC-WCBMZHEXSA-N 0 3 191.299 2.129 10 30 AEEEHN C#C[C@H](N)[C@@H]1CCCc2sccc21 163731998 344228581 /nfs/dbraw/zinc/22/85/81/344228581.db2.gz HKYXSPLYQNSZHC-SCZZXKLOSA-N 0 3 191.299 2.129 10 30 AEEEHN C#C[C@@H](N)[C@@H]1CCCc2sccc21 163732078 344228585 /nfs/dbraw/zinc/22/85/85/344228585.db2.gz HKYXSPLYQNSZHC-PSASIEDQSA-N 0 3 191.299 2.129 10 30 AEEEHN CC#CC[C@@H](N)c1ccoc1C 163797569 344230216 /nfs/dbraw/zinc/23/02/16/344230216.db2.gz KMHFLFMHJQLCPE-SNVBAGLBSA-N 0 3 163.220 2.001 10 30 AEEEHN C=C[C@@H](NC)c1ccoc1C 163807838 344230623 /nfs/dbraw/zinc/23/06/23/344230623.db2.gz ILTBZCDSEFFRIE-SECBINFHSA-N 0 3 151.209 2.035 10 30 AEEEHN C=C[C@H](NC)c1ccoc1C 163807923 344230785 /nfs/dbraw/zinc/23/07/85/344230785.db2.gz ILTBZCDSEFFRIE-VIFPVBQESA-N 0 3 151.209 2.035 10 30 AEEEHN C=CC[C@H](N)c1occc1C 163895337 344232582 /nfs/dbraw/zinc/23/25/82/344232582.db2.gz IGLBEWBXMFOPTG-QMMMGPOBSA-N 0 3 151.209 2.164 10 30 AEEEHN C#CCC[C@H](N)c1occc1C 163902104 344232651 /nfs/dbraw/zinc/23/26/51/344232651.db2.gz YLFYDBZWLQSBOQ-VIFPVBQESA-N 0 3 163.220 2.001 10 30 AEEEHN C#CCC[C@@H](N)c1occc1C 163901987 344232678 /nfs/dbraw/zinc/23/26/78/344232678.db2.gz YLFYDBZWLQSBOQ-SECBINFHSA-N 0 3 163.220 2.001 10 30 AEEEHN C=CC[C@@H](N)c1occc1C 163895219 344232844 /nfs/dbraw/zinc/23/28/44/344232844.db2.gz IGLBEWBXMFOPTG-MRVPVSSYSA-N 0 3 151.209 2.164 10 30 AEEEHN C=C(Cl)CN[C@H]1CCCSC1 163991338 344234553 /nfs/dbraw/zinc/23/45/53/344234553.db2.gz XWKLEHFUOCBQKK-QMMMGPOBSA-N 0 3 191.727 2.224 10 30 AEEEHN C=C(Cl)CN[C@@H]1CCCSC1 163991236 344234562 /nfs/dbraw/zinc/23/45/62/344234562.db2.gz XWKLEHFUOCBQKK-MRVPVSSYSA-N 0 3 191.727 2.224 10 30 AEEEHN C=C(C)[C@@H](N)c1scnc1C 164082836 344236316 /nfs/dbraw/zinc/23/63/16/344236316.db2.gz OBXVJGYBENGKGB-SSDOTTSWSA-N 0 3 168.265 2.027 10 30 AEEEHN C=C(C)[C@@H](N)c1ccncc1Cl 164093681 344236860 /nfs/dbraw/zinc/23/68/60/344236860.db2.gz QUVZJFAXVJFREJ-SECBINFHSA-N 0 3 182.654 2.311 10 30 AEEEHN C=C(C)[C@H](N)c1ccc(C)nc1C 164093440 344237089 /nfs/dbraw/zinc/23/70/89/344237089.db2.gz WFUBFPJFJFNFDH-NSHDSACASA-N 0 3 176.263 2.274 10 30 AEEEHN C=C(C)[C@H](N)c1ccncc1Cl 164093564 344237106 /nfs/dbraw/zinc/23/71/06/344237106.db2.gz QUVZJFAXVJFREJ-VIFPVBQESA-N 0 3 182.654 2.311 10 30 AEEEHN NCC#Cc1ccc(C2CCC2)cc1 164146916 344237903 /nfs/dbraw/zinc/23/79/03/344237903.db2.gz KVYLLVSMKLDRHA-UHFFFAOYSA-N 0 3 185.270 2.264 10 30 AEEEHN CCNCc1ccc(C#N)cc1Cl 164199777 344239287 /nfs/dbraw/zinc/23/92/87/344239287.db2.gz AVHPDNRSZBFZIN-UHFFFAOYSA-N 0 3 194.665 2.321 10 30 AEEEHN C[C@H](N)C#Cc1cc(F)ccc1Cl 164468204 344245542 /nfs/dbraw/zinc/24/55/42/344245542.db2.gz BJLLCXVOHDPEBS-ZETCQYMHSA-N 0 3 197.640 2.178 10 30 AEEEHN C[C@@H](N)C#Cc1cc(F)ccc1Cl 164468325 344245685 /nfs/dbraw/zinc/24/56/85/344245685.db2.gz BJLLCXVOHDPEBS-SSDOTTSWSA-N 0 3 197.640 2.178 10 30 AEEEHN CNCC#Cc1cc(F)ccc1Cl 164468067 344245761 /nfs/dbraw/zinc/24/57/61/344245761.db2.gz CULWONXBAYZVCG-UHFFFAOYSA-N 0 3 197.640 2.050 10 30 AEEEHN Cc1ccc(CNC2CC2)cc1C#N 164970866 344256336 /nfs/dbraw/zinc/25/63/36/344256336.db2.gz SBXIXJLBNPMBQK-UHFFFAOYSA-N 0 3 186.258 2.119 10 30 AEEEHN CN(C)[C@@H]1CCCCCC/C1=N/O 165339798 344262270 /nfs/dbraw/zinc/26/22/70/344262270.db2.gz QPAYOKWZYWUKKS-QLWWJYNRSA-N 0 3 184.283 2.101 10 30 AEEEHN C=C(Cl)CNc1ccncc1 168021927 344318908 /nfs/dbraw/zinc/31/89/08/344318908.db2.gz COQJLSXMRNNRIT-UHFFFAOYSA-N 0 3 168.627 2.246 10 30 AEEEHN CC(C)[C@H]1CCN(C[C@@H](C)C#N)C1 166193137 344276421 /nfs/dbraw/zinc/27/64/21/344276421.db2.gz NXJVESMKXLOTID-QWRGUYRKSA-N 0 3 180.295 2.124 10 30 AEEEHN CC(C)[C@@H]1CCN(C[C@@H](C)C#N)C1 166193015 344276508 /nfs/dbraw/zinc/27/65/08/344276508.db2.gz NXJVESMKXLOTID-WDEREUQCSA-N 0 3 180.295 2.124 10 30 AEEEHN CC[C@@H]1CCN([C@@H]2CCC[C@@H]2C#N)C1 166194546 344276515 /nfs/dbraw/zinc/27/65/15/344276515.db2.gz DDKOKUIVWCVRGY-IJLUTSLNSA-N 0 3 192.306 2.411 10 30 AEEEHN C#C[C@H](C)N[C@@H](C)c1ccc(O)cc1 166448184 344281995 /nfs/dbraw/zinc/28/19/95/344281995.db2.gz UOZGONSRWYJCTB-UWVGGRQHSA-N 0 3 189.258 2.065 10 30 AEEEHN C#C[C@H](C)N[C@H](C)c1ccc(O)cc1 166448414 344282077 /nfs/dbraw/zinc/28/20/77/344282077.db2.gz UOZGONSRWYJCTB-VHSXEESVSA-N 0 3 189.258 2.065 10 30 AEEEHN C#C[C@@H](C)N[C@H](C)c1ccc(O)cc1 166448546 344282112 /nfs/dbraw/zinc/28/21/12/344282112.db2.gz UOZGONSRWYJCTB-NXEZZACHSA-N 0 3 189.258 2.065 10 30 AEEEHN C#C[C@@H](C)N[C@@H](C)c1ccc(O)cc1 166448297 344282220 /nfs/dbraw/zinc/28/22/20/344282220.db2.gz UOZGONSRWYJCTB-ZJUUUORDSA-N 0 3 189.258 2.065 10 30 AEEEHN C[C@H]1[C@H](C)C[C@@H](C)CN1CCC#N 166707126 344287128 /nfs/dbraw/zinc/28/71/28/344287128.db2.gz UEYUFXCWXOYOIB-MXWKQRLJSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H]1C[C@@H](C)CN(CCC#N)[C@H]1C 166706893 344287330 /nfs/dbraw/zinc/28/73/30/344287330.db2.gz UEYUFXCWXOYOIB-VWYCJHECSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@@H]1C[C@@H]1CN[C@@H]1CCCC[C@@H]1C#N 166898958 344292763 /nfs/dbraw/zinc/29/27/63/344292763.db2.gz HQFUDSDEEVYISO-DDHJBXDOSA-N 0 3 192.306 2.314 10 30 AEEEHN Cc1cc(C)cc(C#C[C@H](C)N)c1 166988133 344294331 /nfs/dbraw/zinc/29/43/31/344294331.db2.gz STMFGRMUXSBNBL-NSHDSACASA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1ccc(C)c(C#C[C@@H](C)N)c1 166990363 344294382 /nfs/dbraw/zinc/29/43/82/344294382.db2.gz GKTMKPKHJIBHPF-LLVKDONJSA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1cccc(C#C[C@@H](C)N)c1C 166990775 344294435 /nfs/dbraw/zinc/29/44/35/344294435.db2.gz ZNIWYOBXEXKVFY-SNVBAGLBSA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1ccc(C)c(C#C[C@H](C)N)c1 166990466 344294450 /nfs/dbraw/zinc/29/44/50/344294450.db2.gz GKTMKPKHJIBHPF-NSHDSACASA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1ccc(C#C[C@H](C)N)cc1C 166990671 344294500 /nfs/dbraw/zinc/29/45/00/344294500.db2.gz GRDLOOOWLVACPR-NSHDSACASA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1ccc(C#C[C@@H](C)N)cc1C 166990572 344294512 /nfs/dbraw/zinc/29/45/12/344294512.db2.gz GRDLOOOWLVACPR-LLVKDONJSA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1ccc(C#C[C@H](C)N)c(C)c1 166992232 344294562 /nfs/dbraw/zinc/29/45/62/344294562.db2.gz CSOHBIZILAJDGH-NSHDSACASA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1cccc(C#C[C@H](C)N)c1C 166990875 344294566 /nfs/dbraw/zinc/29/45/66/344294566.db2.gz ZNIWYOBXEXKVFY-JTQLQIEISA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1ccc(C#C[C@@H](C)N)c(C)c1 166992127 344294629 /nfs/dbraw/zinc/29/46/29/344294629.db2.gz CSOHBIZILAJDGH-LLVKDONJSA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1cc(C)cc(C#C[C@@H](C)N)c1 166988029 344294639 /nfs/dbraw/zinc/29/46/39/344294639.db2.gz STMFGRMUXSBNBL-LLVKDONJSA-N 0 3 173.259 2.002 10 30 AEEEHN Cc1cc(C)c(C#C[C@H](C)N)cc1C 166998900 344294787 /nfs/dbraw/zinc/29/47/87/344294787.db2.gz QPFDFEJHPZOWQH-LBPRGKRZSA-N 0 3 187.286 2.311 10 30 AEEEHN C[C@H](N)C#Cc1ccc(Cl)cc1F 167005035 344294877 /nfs/dbraw/zinc/29/48/77/344294877.db2.gz GRDBDSLISRNPSN-ZETCQYMHSA-N 0 3 197.640 2.178 10 30 AEEEHN C[C@@H](N)C#Cc1ccc(Cl)cc1F 167005108 344294918 /nfs/dbraw/zinc/29/49/18/344294918.db2.gz GRDBDSLISRNPSN-SSDOTTSWSA-N 0 3 197.640 2.178 10 30 AEEEHN Cc1cc(C)c(C#C[C@@H](C)N)cc1C 166998794 344295091 /nfs/dbraw/zinc/29/50/91/344295091.db2.gz QPFDFEJHPZOWQH-GFCCVEGCSA-N 0 3 187.286 2.311 10 30 AEEEHN CN(C)CCC(=O)C1=CCCCC1 167135930 344298395 /nfs/dbraw/zinc/29/83/95/344298395.db2.gz MCVWOQNUNHFTPV-UHFFFAOYSA-N 0 3 181.279 2.008 10 30 AEEEHN NCC#Cc1ccccc1C1CCC1 167197121 344299710 /nfs/dbraw/zinc/29/97/10/344299710.db2.gz TXXOWKDJNXIKHF-UHFFFAOYSA-N 0 3 185.270 2.264 10 30 AEEEHN CC#CCCC(=O)C1(N)CCCCC1 167886197 344316226 /nfs/dbraw/zinc/31/62/26/344316226.db2.gz PQLDBGUNCCGIOR-UHFFFAOYSA-N 0 3 193.290 2.021 10 30 AEEEHN C#CC[C@@H](N)c1cc(C)ccc1F 168568891 344332848 /nfs/dbraw/zinc/33/28/48/344332848.db2.gz HRSWNHMHJRIEDL-LLVKDONJSA-N 0 3 177.222 2.157 10 30 AEEEHN C#CC[C@@H](N)c1c(C)oc(C)c1C 168591700 344332816 /nfs/dbraw/zinc/33/28/16/344332816.db2.gz KFMQMXPRENWQHH-SNVBAGLBSA-N 0 3 177.247 2.228 10 30 AEEEHN C#CC[C@@H](N)c1ccc(Cl)s1 168585037 344332991 /nfs/dbraw/zinc/33/29/91/344332991.db2.gz GHYNRRUOWSIQSA-ZCFIWIBFSA-N 0 3 185.679 2.425 10 30 AEEEHN C#CC[C@@H](N)c1sccc1CC 168574583 344332997 /nfs/dbraw/zinc/33/29/97/344332997.db2.gz SZOYFGKCKPDLPV-SECBINFHSA-N 0 3 179.288 2.334 10 30 AEEEHN C#CC[C@H](N)c1ccc(Cl)s1 168584935 344333006 /nfs/dbraw/zinc/33/30/06/344333006.db2.gz GHYNRRUOWSIQSA-LURJTMIESA-N 0 3 185.679 2.425 10 30 AEEEHN C#CC[C@H](N)c1cc(C)ccc1F 168568995 344333025 /nfs/dbraw/zinc/33/30/25/344333025.db2.gz HRSWNHMHJRIEDL-NSHDSACASA-N 0 3 177.222 2.157 10 30 AEEEHN C#CC[C@@H](N)c1cccc(C)c1F 168578116 344333045 /nfs/dbraw/zinc/33/30/45/344333045.db2.gz GOVYJUATFJBQSY-SNVBAGLBSA-N 0 3 177.222 2.157 10 30 AEEEHN C#CC[C@H](N)c1sccc1CC 168574684 344333107 /nfs/dbraw/zinc/33/31/07/344333107.db2.gz SZOYFGKCKPDLPV-VIFPVBQESA-N 0 3 179.288 2.334 10 30 AEEEHN C#CC[C@H](N)c1c(C)oc(C)c1C 168591806 344333332 /nfs/dbraw/zinc/33/33/32/344333332.db2.gz KFMQMXPRENWQHH-JTQLQIEISA-N 0 3 177.247 2.228 10 30 AEEEHN C#CC[C@H](N)c1ccc(C)cc1F 168610639 344333499 /nfs/dbraw/zinc/33/34/99/344333499.db2.gz KNDPLHCIKNDTGD-NSHDSACASA-N 0 3 177.222 2.157 10 30 AEEEHN C#CC[C@@H](N)c1ccc(C)cc1F 168610548 344333534 /nfs/dbraw/zinc/33/35/34/344333534.db2.gz KNDPLHCIKNDTGD-LLVKDONJSA-N 0 3 177.222 2.157 10 30 AEEEHN C#CC[C@H](N)c1sccc1Cl 168649266 344333772 /nfs/dbraw/zinc/33/37/72/344333772.db2.gz ZUJXHBXUYGNBOU-ZETCQYMHSA-N 0 3 185.679 2.425 10 30 AEEEHN C#CC[C@H](NC)c1c(C)oc(C)c1C 168626574 344333817 /nfs/dbraw/zinc/33/38/17/344333817.db2.gz QGYAWNYELCQCCY-NSHDSACASA-N 0 3 191.274 2.489 10 30 AEEEHN C#CC[C@H](N)c1sccc1C 168637495 344333970 /nfs/dbraw/zinc/33/39/70/344333970.db2.gz IUPYWXYBQUOECU-QMMMGPOBSA-N 0 3 165.261 2.080 10 30 AEEEHN C#CC[C@@H](NC)c1c(C)oc(C)c1C 168626473 344334079 /nfs/dbraw/zinc/33/40/79/344334079.db2.gz QGYAWNYELCQCCY-LLVKDONJSA-N 0 3 191.274 2.489 10 30 AEEEHN C#CC[C@@H](N)c1sccc1Cl 168649356 344334121 /nfs/dbraw/zinc/33/41/21/344334121.db2.gz ZUJXHBXUYGNBOU-SSDOTTSWSA-N 0 3 185.679 2.425 10 30 AEEEHN C#CC[C@@H](N)c1sccc1C 168637399 344334235 /nfs/dbraw/zinc/33/42/35/344334235.db2.gz IUPYWXYBQUOECU-MRVPVSSYSA-N 0 3 165.261 2.080 10 30 AEEEHN C#CC[C@H](N)c1cc(C)c(C)s1 168651968 344334412 /nfs/dbraw/zinc/33/44/12/344334412.db2.gz CBRQBLZFCRDFCL-VIFPVBQESA-N 0 3 179.288 2.388 10 30 AEEEHN C#CC[C@H](N)c1ccc(C)s1 168669150 344334607 /nfs/dbraw/zinc/33/46/07/344334607.db2.gz WCNLIYZZPPYDFG-QMMMGPOBSA-N 0 3 165.261 2.080 10 30 AEEEHN C#CC[C@@H](N)c1ccc(C)s1 168669051 344334729 /nfs/dbraw/zinc/33/47/29/344334729.db2.gz WCNLIYZZPPYDFG-MRVPVSSYSA-N 0 3 165.261 2.080 10 30 AEEEHN C#CC[C@@H](N)c1cc(C)c(C)s1 168651873 344334800 /nfs/dbraw/zinc/33/48/00/344334800.db2.gz CBRQBLZFCRDFCL-SECBINFHSA-N 0 3 179.288 2.388 10 30 AEEEHN C=CCCNC/C(Cl)=C\Cl 168730303 344335573 /nfs/dbraw/zinc/33/55/73/344335573.db2.gz GAPAFOYQLJIWGM-FNORWQNLSA-N 0 3 180.078 2.471 10 30 AEEEHN C=CCCN[C@H]1CCCC[C@H]1C#N 168747781 344335935 /nfs/dbraw/zinc/33/59/35/344335935.db2.gz QJIMCFATDYCWIY-QWRGUYRKSA-N 0 3 178.279 2.234 10 30 AEEEHN C=CCCN[C@@H]1CCCC[C@H]1C#N 168747692 344336177 /nfs/dbraw/zinc/33/61/77/344336177.db2.gz QJIMCFATDYCWIY-WDEREUQCSA-N 0 3 178.279 2.234 10 30 AEEEHN C=CCCN[C@H]1CCCC[C@@H]1C#N 168747607 344336276 /nfs/dbraw/zinc/33/62/76/344336276.db2.gz QJIMCFATDYCWIY-MNOVXSKESA-N 0 3 178.279 2.234 10 30 AEEEHN C=CCCN[C@@H]1CCCC[C@@H]1C#N 168747511 344336326 /nfs/dbraw/zinc/33/63/26/344336326.db2.gz QJIMCFATDYCWIY-GHMZBOCLSA-N 0 3 178.279 2.234 10 30 AEEEHN C=CCCNc1ccncc1 168884372 344339230 /nfs/dbraw/zinc/33/92/30/344339230.db2.gz ADIGEMPVWWFFED-UHFFFAOYSA-N 0 3 148.209 2.070 10 30 AEEEHN C=C(C)CCNCC(=C)Cl 169024051 344342725 /nfs/dbraw/zinc/34/27/25/344342725.db2.gz OBGAQAWLVUQIOP-UHFFFAOYSA-N 0 3 159.660 2.295 10 30 AEEEHN C=CCN[C@@H]1CCCc2occc21 169187978 344348278 /nfs/dbraw/zinc/34/82/78/344348278.db2.gz YNJZZSDOTIJVAS-SNVBAGLBSA-N 0 3 177.247 2.433 10 30 AEEEHN C=CCN[C@H]1CCCc2occc21 169188060 344348498 /nfs/dbraw/zinc/34/84/98/344348498.db2.gz YNJZZSDOTIJVAS-JTQLQIEISA-N 0 3 177.247 2.433 10 30 AEEEHN C#CCCN[C@H]1CCCc2occc21 169212968 344348957 /nfs/dbraw/zinc/34/89/57/344348957.db2.gz ZKYIXGWONBMDJP-NSHDSACASA-N 0 3 189.258 2.270 10 30 AEEEHN C#CCCN[C@@H]1CCCc2occc21 169212897 344348992 /nfs/dbraw/zinc/34/89/92/344348992.db2.gz ZKYIXGWONBMDJP-LLVKDONJSA-N 0 3 189.258 2.270 10 30 AEEEHN N#CC(C=O)c1cccc(Cl)c1F 169267732 344349956 /nfs/dbraw/zinc/34/99/56/344349956.db2.gz QMTYZTYVZORVRT-LURJTMIESA-N 0 3 197.596 2.285 10 30 AEEEHN N#CC(C=O)c1cccc(Cl)c1F 169267663 344350018 /nfs/dbraw/zinc/35/00/18/344350018.db2.gz QMTYZTYVZORVRT-ZCFIWIBFSA-N 0 3 197.596 2.285 10 30 AEEEHN CCCN1CCC(C)(C#N)CC1 202792632 344367806 /nfs/dbraw/zinc/36/78/06/344367806.db2.gz KXBPVDDVMKQOHG-UHFFFAOYSA-N 0 3 166.268 2.022 10 30 AEEEHN N#Cc1cccc(CN2C[C@H]3C[C@H]3C2)c1 214111583 344381999 /nfs/dbraw/zinc/38/19/99/344381999.db2.gz AZLASCNSXKJUJZ-BETUJISGSA-N 0 3 198.269 2.010 10 30 AEEEHN C[C@H](C#N)CN1C[C@@H](C)C[C@@H](C)C1 216199181 344395522 /nfs/dbraw/zinc/39/55/22/344395522.db2.gz AZJMTRWUKPLLTE-OUAUKWLOSA-N 0 3 180.295 2.124 10 30 AEEEHN C[C@H](C#N)CN1C[C@H](C)C[C@@H](C)C1 216199234 344395809 /nfs/dbraw/zinc/39/58/09/344395809.db2.gz AZJMTRWUKPLLTE-GMTAPVOTSA-N 0 3 180.295 2.124 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@@H](C)CC1 216818979 344399574 /nfs/dbraw/zinc/39/95/74/344399574.db2.gz MCMQECOSRJSBIY-GHMZBOCLSA-N 0 3 180.295 2.268 10 30 AEEEHN CC[C@@H](CC#N)NCC1(C)CCC1 219494852 344424456 /nfs/dbraw/zinc/42/44/56/344424456.db2.gz FPFYZQNWONZIQZ-JTQLQIEISA-N 0 3 180.295 2.458 10 30 AEEEHN CC[C@H](CC#N)NCC1(C)CCC1 219494917 344424534 /nfs/dbraw/zinc/42/45/34/344424534.db2.gz FPFYZQNWONZIQZ-SNVBAGLBSA-N 0 3 180.295 2.458 10 30 AEEEHN CC[C@H](CC#N)N1C[C@H](C)[C@@H](C)C1 219679976 344427047 /nfs/dbraw/zinc/42/70/47/344427047.db2.gz OSCITJKPULKQAL-GARJFASQSA-N 0 3 180.295 2.266 10 30 AEEEHN C#C[C@H](N)c1cccc(Cl)c1C 220428482 344432712 /nfs/dbraw/zinc/43/27/12/344432712.db2.gz NOTZVLUOSFIYJJ-JTQLQIEISA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@@H](N)c1cccc(Cl)c1C 220428419 344432764 /nfs/dbraw/zinc/43/27/64/344432764.db2.gz NOTZVLUOSFIYJJ-SNVBAGLBSA-N 0 3 179.650 2.281 10 30 AEEEHN C=C(Cl)CN[C@@H]1CCS[C@H]1C 220854674 344435724 /nfs/dbraw/zinc/43/57/24/344435724.db2.gz DWHFTSALLWJUMD-JGVFFNPUSA-N 0 3 191.727 2.223 10 30 AEEEHN C=C(Cl)CN[C@H]1CCS[C@H]1C 220854750 344435786 /nfs/dbraw/zinc/43/57/86/344435786.db2.gz DWHFTSALLWJUMD-YUMQZZPRSA-N 0 3 191.727 2.223 10 30 AEEEHN C=C(Cl)CN[C@@H]1CCS[C@@H]1C 220854559 344435827 /nfs/dbraw/zinc/43/58/27/344435827.db2.gz DWHFTSALLWJUMD-HTQZYQBOSA-N 0 3 191.727 2.223 10 30 AEEEHN C=C(Cl)CN[C@H]1CCS[C@@H]1C 220854615 344435861 /nfs/dbraw/zinc/43/58/61/344435861.db2.gz DWHFTSALLWJUMD-SFYZADRCSA-N 0 3 191.727 2.223 10 30 AEEEHN CC[C@H](CC#N)N1C[C@@H](C)C[C@@H]1C 222574096 344453675 /nfs/dbraw/zinc/45/36/75/344453675.db2.gz ONTCSEAJZFPKRP-GARJFASQSA-N 0 3 180.295 2.409 10 30 AEEEHN C=C[C@H](C)N[C@@H]1COc2ccccc21 224559019 344470354 /nfs/dbraw/zinc/47/03/54/344470354.db2.gz XTLLDJCLKPPOGP-GXSJLCMTSA-N 0 3 189.258 2.284 10 30 AEEEHN C=C[C@@H](C)N[C@H]1COc2ccccc21 224559059 344470408 /nfs/dbraw/zinc/47/04/08/344470408.db2.gz XTLLDJCLKPPOGP-KOLCDFICSA-N 0 3 189.258 2.284 10 30 AEEEHN C=C[C@H](C)N[C@H]1COc2ccccc21 224559108 344470516 /nfs/dbraw/zinc/47/05/16/344470516.db2.gz XTLLDJCLKPPOGP-ONGXEEELSA-N 0 3 189.258 2.284 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@@H](C)[C@@H]1C 224698800 344472399 /nfs/dbraw/zinc/47/23/99/344472399.db2.gz UMCOGPUAXRBXPI-MXWKQRLJSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H]1C[C@@H](C)CN([C@H](C)CC#N)C1 224812053 344473385 /nfs/dbraw/zinc/47/33/85/344473385.db2.gz SIZKCLJSTMOUNE-OUAUKWLOSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@@H]1C[C@@H](C)CN([C@H](C)CC#N)C1 224812102 344473423 /nfs/dbraw/zinc/47/34/23/344473423.db2.gz SIZKCLJSTMOUNE-GMTAPVOTSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H]1CCCC[C@H]1N[C@H](C)CC#N 225155863 344477399 /nfs/dbraw/zinc/47/73/99/344477399.db2.gz WHEWITWHGSQTPI-HBNTYKKESA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H]1CCCC[C@@H]1N[C@H](C)CC#N 225155900 344477626 /nfs/dbraw/zinc/47/76/26/344477626.db2.gz WHEWITWHGSQTPI-AXFHLTTASA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](C#N)CN1CC[C@@H](C)C[C@@H]1C 225720908 344485113 /nfs/dbraw/zinc/48/51/13/344485113.db2.gz CLZDKEXYIFBEDA-MXWKQRLJSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H]1C[C@H](C)CCN1[C@H](C)CC#N 225722399 344485166 /nfs/dbraw/zinc/48/51/66/344485166.db2.gz ODUGLBHPXVISHT-MXWKQRLJSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H](CC#N)N1CC[C@@H](C)C[C@@H]1C 225722371 344485332 /nfs/dbraw/zinc/48/53/32/344485332.db2.gz ODUGLBHPXVISHT-VWYCJHECSA-N 0 3 180.295 2.409 10 30 AEEEHN CC1(CN[C@@H]2CCC[C@@H]2C#N)CC1 226403030 344501873 /nfs/dbraw/zinc/50/18/73/344501873.db2.gz JXHNMKZSZAFRLW-NXEZZACHSA-N 0 3 178.279 2.068 10 30 AEEEHN CC1(CN[C@@H]2CCC[C@H]2C#N)CC1 226403039 344501915 /nfs/dbraw/zinc/50/19/15/344501915.db2.gz JXHNMKZSZAFRLW-VHSXEESVSA-N 0 3 178.279 2.068 10 30 AEEEHN CC1(CN[C@H]2CCC[C@H]2C#N)CC1 226403046 344501988 /nfs/dbraw/zinc/50/19/88/344501988.db2.gz JXHNMKZSZAFRLW-UWVGGRQHSA-N 0 3 178.279 2.068 10 30 AEEEHN C[C@H](C#N)CN1C[C@@H](C)CC[C@@H]1C 226407517 344502309 /nfs/dbraw/zinc/50/23/09/344502309.db2.gz ATWHBMZHZCRRMW-AXFHLTTASA-N 0 3 180.295 2.266 10 30 AEEEHN C=C(C)CC(=O)[C@@]1(N)CCC[C@H](C)C1 226467502 344503676 /nfs/dbraw/zinc/50/36/76/344503676.db2.gz VBJXQERNLQADTD-CMPLNLGQSA-N 0 3 195.306 2.429 10 30 AEEEHN C=C(C)CC(=O)[C@]1(N)CCC[C@@H](C)C1 226467498 344503813 /nfs/dbraw/zinc/50/38/13/344503813.db2.gz VBJXQERNLQADTD-PWSUYJOCSA-N 0 3 195.306 2.429 10 30 AEEEHN C=C(C)CC(=O)[C@@]1(N)CCC[C@@H](C)C1 226467491 344503870 /nfs/dbraw/zinc/50/38/70/344503870.db2.gz VBJXQERNLQADTD-ZYHUDNBSSA-N 0 3 195.306 2.429 10 30 AEEEHN C[C@H](C#N)CN1CCCCC[C@@H]1C 226733228 344511258 /nfs/dbraw/zinc/51/12/58/344511258.db2.gz XGAVLNBYRQZHGV-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H](CC#N)N1CC[C@@H](C)C1 226758518 344512683 /nfs/dbraw/zinc/51/26/83/344512683.db2.gz VUXHBPDYFKKTQQ-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN CC[C@H](CC#N)N1CC[C@@H](C)C1 226758525 344512818 /nfs/dbraw/zinc/51/28/18/344512818.db2.gz VUXHBPDYFKKTQQ-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@@H]2CCC[C@@H]21 227167143 344524628 /nfs/dbraw/zinc/52/46/28/344524628.db2.gz RJAKPTWHRNGSEF-WOPDTQHZSA-N 0 3 192.306 2.411 10 30 AEEEHN C=C[C@@H](C)N1CCC(C)(C#N)CC1 227351684 344529718 /nfs/dbraw/zinc/52/97/18/344529718.db2.gz SGICXGFKGIQGKZ-SNVBAGLBSA-N 0 3 178.279 2.187 10 30 AEEEHN C=C[C@H](C)N1CCC(C)(C#N)CC1 227351687 344529730 /nfs/dbraw/zinc/52/97/30/344529730.db2.gz SGICXGFKGIQGKZ-JTQLQIEISA-N 0 3 178.279 2.187 10 30 AEEEHN C/C=C/CN1CCC(C)(C#N)CC1 227351787 344529740 /nfs/dbraw/zinc/52/97/40/344529740.db2.gz RLYCJNIRYYNJRP-ONEGZZNKSA-N 0 3 178.279 2.188 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1CCCS[C@@H]1C 227527377 344533454 /nfs/dbraw/zinc/53/34/54/344533454.db2.gz JDYJBDZCFMAKLO-OPRDCNLKSA-N 0 3 198.335 2.020 10 30 AEEEHN C[C@H](C#N)CN[C@H]1CCCS[C@@H]1C 227527380 344533579 /nfs/dbraw/zinc/53/35/79/344533579.db2.gz JDYJBDZCFMAKLO-BBBLOLIVSA-N 0 3 198.335 2.020 10 30 AEEEHN C=C(C)[C@@H](N)c1ncc(C)cc1C 227564747 344535340 /nfs/dbraw/zinc/53/53/40/344535340.db2.gz PVUKGBANDSQBJB-SNVBAGLBSA-N 0 3 176.263 2.274 10 30 AEEEHN C=C[C@@H](NC)c1ncc(C)cc1C 227565449 344535357 /nfs/dbraw/zinc/53/53/57/344535357.db2.gz LACTVIMLVBPPOX-SNVBAGLBSA-N 0 3 176.263 2.145 10 30 AEEEHN C=C[C@H](NC)c1ncc(C)cc1C 227565456 344535408 /nfs/dbraw/zinc/53/54/08/344535408.db2.gz LACTVIMLVBPPOX-JTQLQIEISA-N 0 3 176.263 2.145 10 30 AEEEHN CC#CC[C@@H](N)c1ncc(C)cc1C 227564160 344535414 /nfs/dbraw/zinc/53/54/14/344535414.db2.gz LWJPFBIWBMIVRL-LLVKDONJSA-N 0 3 188.274 2.112 10 30 AEEEHN C=C(C)[C@H](N)c1ncc(C)cc1C 227564753 344535431 /nfs/dbraw/zinc/53/54/31/344535431.db2.gz PVUKGBANDSQBJB-JTQLQIEISA-N 0 3 176.263 2.274 10 30 AEEEHN C#CCC[C@H](N)c1ncc(C)cc1C 227564413 344535549 /nfs/dbraw/zinc/53/55/49/344535549.db2.gz FJZBWKQQMVTGAO-NSHDSACASA-N 0 3 188.274 2.112 10 30 AEEEHN CC#CC[C@H](N)c1ncc(C)cc1C 227564168 344535626 /nfs/dbraw/zinc/53/56/26/344535626.db2.gz LWJPFBIWBMIVRL-NSHDSACASA-N 0 3 188.274 2.112 10 30 AEEEHN CCNCC#Cc1ccsc1C 227808113 344548338 /nfs/dbraw/zinc/54/83/38/344548338.db2.gz ISGRSXWYAJDDOC-UHFFFAOYSA-N 0 3 179.288 2.018 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@@H]2CCC[C@H]21 228012974 344555284 /nfs/dbraw/zinc/55/52/84/344555284.db2.gz RJAKPTWHRNGSEF-GRYCIOLGSA-N 0 3 192.306 2.411 10 30 AEEEHN CCN1CCC/C(=C/C(C)=O)CC1 228124400 344557587 /nfs/dbraw/zinc/55/75/87/344557587.db2.gz PUTCLFDDQKAHEI-LUAWRHEFSA-N 0 3 181.279 2.008 10 30 AEEEHN CC1(N[C@@H]2CCCC[C@H]2C#N)CC1 228841381 344569873 /nfs/dbraw/zinc/56/98/73/344569873.db2.gz JOBIDPVJFHKTIC-VHSXEESVSA-N 0 3 178.279 2.211 10 30 AEEEHN CC1(N[C@H]2CCCC[C@H]2C#N)CC1 228841392 344570000 /nfs/dbraw/zinc/57/00/00/344570000.db2.gz JOBIDPVJFHKTIC-UWVGGRQHSA-N 0 3 178.279 2.211 10 30 AEEEHN CC1(N[C@H]2CCCC[C@@H]2C#N)CC1 228841372 344570095 /nfs/dbraw/zinc/57/00/95/344570095.db2.gz JOBIDPVJFHKTIC-ZJUUUORDSA-N 0 3 178.279 2.211 10 30 AEEEHN CC1(N[C@@H]2CCCC[C@@H]2C#N)CC1 228841363 344570191 /nfs/dbraw/zinc/57/01/91/344570191.db2.gz JOBIDPVJFHKTIC-NXEZZACHSA-N 0 3 178.279 2.211 10 30 AEEEHN C=C(Br)CNC1(C)CC1 228845811 344570687 /nfs/dbraw/zinc/57/06/87/344570687.db2.gz UDROZYSDKZAJBV-UHFFFAOYSA-N 0 3 190.084 2.037 10 30 AEEEHN CC1(N[C@@H]2CCC[C@H]2C#N)CCC1 228854722 344571010 /nfs/dbraw/zinc/57/10/10/344571010.db2.gz LAKAGIUMSGXPDK-VHSXEESVSA-N 0 3 178.279 2.211 10 30 AEEEHN C=C(Cl)CNC1(C)CCC1 228854603 344571073 /nfs/dbraw/zinc/57/10/73/344571073.db2.gz JUOHCJTWCSIWQO-UHFFFAOYSA-N 0 3 159.660 2.271 10 30 AEEEHN CC1(N[C@@H]2CCC[C@@H]2C#N)CCC1 228854702 344571191 /nfs/dbraw/zinc/57/11/91/344571191.db2.gz LAKAGIUMSGXPDK-NXEZZACHSA-N 0 3 178.279 2.211 10 30 AEEEHN CC1(N[C@H]2CCC[C@@H]2C#N)CCC1 228854710 344571201 /nfs/dbraw/zinc/57/12/01/344571201.db2.gz LAKAGIUMSGXPDK-ZJUUUORDSA-N 0 3 178.279 2.211 10 30 AEEEHN CC1(N[C@H]2CCC[C@H]2C#N)CCC1 228854729 344571244 /nfs/dbraw/zinc/57/12/44/344571244.db2.gz LAKAGIUMSGXPDK-UWVGGRQHSA-N 0 3 178.279 2.211 10 30 AEEEHN CCN(C)Cc1ccc(C#N)cc1C 229147993 344584337 /nfs/dbraw/zinc/58/43/37/344584337.db2.gz RJUISFDQAHAJIQ-UHFFFAOYSA-N 0 3 188.274 2.318 10 30 AEEEHN C=C[C@@H](N)c1ccoc1Cl 229298938 344589533 /nfs/dbraw/zinc/58/95/33/344589533.db2.gz CRNAMLMBMLOVOC-ZCFIWIBFSA-N 0 3 157.600 2.119 10 30 AEEEHN C=C[C@H](N)c1ccoc1Cl 229298949 344589590 /nfs/dbraw/zinc/58/95/90/344589590.db2.gz CRNAMLMBMLOVOC-LURJTMIESA-N 0 3 157.600 2.119 10 30 AEEEHN C[C@H]1C[C@@H](C)CN(CCC#N)[C@@H]1C 229412352 344594152 /nfs/dbraw/zinc/59/41/52/344594152.db2.gz UEYUFXCWXOYOIB-OUAUKWLOSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CCC#N)C1 229412330 344594242 /nfs/dbraw/zinc/59/42/42/344594242.db2.gz UEYUFXCWXOYOIB-GMTAPVOTSA-N 0 3 180.295 2.266 10 30 AEEEHN CCNCC#Cc1sccc1C 229455203 344596472 /nfs/dbraw/zinc/59/64/72/344596472.db2.gz KVQRZRLMBHUEML-UHFFFAOYSA-N 0 3 179.288 2.018 10 30 AEEEHN CNCC#Cc1ccc(Cl)cc1F 229455301 344596512 /nfs/dbraw/zinc/59/65/12/344596512.db2.gz ZAPXMNCBZIHJGD-UHFFFAOYSA-N 0 3 197.640 2.050 10 30 AEEEHN C#C[C@@H](C)N[C@@H](C)c1cccc(F)c1 229521118 344599933 /nfs/dbraw/zinc/59/99/33/344599933.db2.gz JCBCBSRGURNWQX-ZJUUUORDSA-N 0 3 191.249 2.498 10 30 AEEEHN C#C[C@H](C)N[C@@H](C)c1cccc(F)c1 229521125 344599989 /nfs/dbraw/zinc/59/99/89/344599989.db2.gz JCBCBSRGURNWQX-UWVGGRQHSA-N 0 3 191.249 2.498 10 30 AEEEHN C#C[C@H](C)N[C@H](C)c1cccc(F)c1 229521142 344600063 /nfs/dbraw/zinc/60/00/63/344600063.db2.gz JCBCBSRGURNWQX-VHSXEESVSA-N 0 3 191.249 2.498 10 30 AEEEHN C#C[C@@H](C)NCc1cc(C)c(C)s1 229536725 344601062 /nfs/dbraw/zinc/60/10/62/344601062.db2.gz JLJVINUWPTZJMY-SECBINFHSA-N 0 3 193.315 2.476 10 30 AEEEHN C#C[C@H](C)NCc1cc(C)c(C)s1 229536733 344601073 /nfs/dbraw/zinc/60/10/73/344601073.db2.gz JLJVINUWPTZJMY-VIFPVBQESA-N 0 3 193.315 2.476 10 30 AEEEHN CC[C@H](N)C#Cc1ccccc1Cl 229902362 344619001 /nfs/dbraw/zinc/61/90/01/344619001.db2.gz KIVGXECJYOKQCS-JTQLQIEISA-N 0 3 193.677 2.429 10 30 AEEEHN CCC[C@H](N)C#Cc1cccs1 229902404 344619017 /nfs/dbraw/zinc/61/90/17/344619017.db2.gz CZVYXWWHYFQKLA-VIFPVBQESA-N 0 3 179.288 2.227 10 30 AEEEHN CCC[C@@H](N)C#Cc1cccs1 229902400 344619103 /nfs/dbraw/zinc/61/91/03/344619103.db2.gz CZVYXWWHYFQKLA-SECBINFHSA-N 0 3 179.288 2.227 10 30 AEEEHN CC[C@@H](N)C#Cc1ccc(F)cc1C 229901942 344619114 /nfs/dbraw/zinc/61/91/14/344619114.db2.gz QZJZRQUAOUUYIU-GFCCVEGCSA-N 0 3 191.249 2.223 10 30 AEEEHN CCc1cccc(C#C[C@H](N)CC)c1 229906870 344619516 /nfs/dbraw/zinc/61/95/16/344619516.db2.gz VULJUFXYVYOKGU-CYBMUJFWSA-N 0 3 187.286 2.338 10 30 AEEEHN CC[C@H](N)C#Cc1sccc1C 229905968 344619539 /nfs/dbraw/zinc/61/95/39/344619539.db2.gz NZNJLOREOTVROE-VIFPVBQESA-N 0 3 179.288 2.145 10 30 AEEEHN CC[C@H](N)C#Cc1csc(C)c1 229904654 344619562 /nfs/dbraw/zinc/61/95/62/344619562.db2.gz IQIJEJXSOWCEHC-JTQLQIEISA-N 0 3 179.288 2.145 10 30 AEEEHN CC[C@@H](N)C#Cc1csc(C)c1 229904650 344619584 /nfs/dbraw/zinc/61/95/84/344619584.db2.gz IQIJEJXSOWCEHC-SNVBAGLBSA-N 0 3 179.288 2.145 10 30 AEEEHN CC[C@H](N)C#Cc1cccc(F)c1F 229904396 344619591 /nfs/dbraw/zinc/61/95/91/344619591.db2.gz JHZJBJVIRPAYIG-VIFPVBQESA-N 0 3 195.212 2.054 10 30 AEEEHN CC[C@H](N)C#Cc1ccc(F)cc1F 229902958 344619625 /nfs/dbraw/zinc/61/96/25/344619625.db2.gz VBGCWKXBPMZSNU-JTQLQIEISA-N 0 3 195.212 2.054 10 30 AEEEHN CC[C@@H](N)C#Cc1ccc(C)cc1C 229902870 344619653 /nfs/dbraw/zinc/61/96/53/344619653.db2.gz ICGXVIBYSXSIMW-CYBMUJFWSA-N 0 3 187.286 2.392 10 30 AEEEHN CCC[C@H](N)C#Cc1ccsc1 229904633 344619671 /nfs/dbraw/zinc/61/96/71/344619671.db2.gz BLWPEQTXHPJIJJ-JTQLQIEISA-N 0 3 179.288 2.227 10 30 AEEEHN CCc1ccc(C#C[C@H](N)CC)cc1 229902665 344619682 /nfs/dbraw/zinc/61/96/82/344619682.db2.gz BEWPPDCGYMPVKI-CYBMUJFWSA-N 0 3 187.286 2.338 10 30 AEEEHN CC[C@@H](N)C#Cc1sccc1C 229905962 344619703 /nfs/dbraw/zinc/61/97/03/344619703.db2.gz NZNJLOREOTVROE-SECBINFHSA-N 0 3 179.288 2.145 10 30 AEEEHN CCC[C@@H](N)C#Cc1ccsc1 229904630 344619715 /nfs/dbraw/zinc/61/97/15/344619715.db2.gz BLWPEQTXHPJIJJ-SNVBAGLBSA-N 0 3 179.288 2.227 10 30 AEEEHN CC[C@@H](N)C#Cc1cccc(F)c1F 229904390 344619773 /nfs/dbraw/zinc/61/97/73/344619773.db2.gz JHZJBJVIRPAYIG-SECBINFHSA-N 0 3 195.212 2.054 10 30 AEEEHN CC[C@H](N)C#Cc1cc(F)ccc1F 229903219 344619787 /nfs/dbraw/zinc/61/97/87/344619787.db2.gz AYFBQAWNTPFOTB-JTQLQIEISA-N 0 3 195.212 2.054 10 30 AEEEHN CC[C@H](N)C#Cc1cc(C)ccc1C 229902691 344619806 /nfs/dbraw/zinc/61/98/06/344619806.db2.gz XZFSQZJZJNBIGV-ZDUSSCGKSA-N 0 3 187.286 2.392 10 30 AEEEHN CC[C@@H](N)C#Cc1cc(F)ccc1F 229903210 344619821 /nfs/dbraw/zinc/61/98/21/344619821.db2.gz AYFBQAWNTPFOTB-SNVBAGLBSA-N 0 3 195.212 2.054 10 30 AEEEHN CC[C@@H](N)C#Cc1cccc(Cl)c1 229902551 344619870 /nfs/dbraw/zinc/61/98/70/344619870.db2.gz CPQYFTPZKVRZOC-LLVKDONJSA-N 0 3 193.677 2.429 10 30 AEEEHN CC[C@@H](N)C#Cc1cc(C)ccc1C 229902683 344619877 /nfs/dbraw/zinc/61/98/77/344619877.db2.gz XZFSQZJZJNBIGV-CYBMUJFWSA-N 0 3 187.286 2.392 10 30 AEEEHN CC[C@H](N)C#Cc1cccc(Cl)c1 229902558 344619883 /nfs/dbraw/zinc/61/98/83/344619883.db2.gz CPQYFTPZKVRZOC-NSHDSACASA-N 0 3 193.677 2.429 10 30 AEEEHN CC[C@H](N)C#Cc1ccc(Cl)s1 229906295 344619887 /nfs/dbraw/zinc/61/98/87/344619887.db2.gz ZCOCIICUPMBICJ-ZETCQYMHSA-N 0 3 199.706 2.490 10 30 AEEEHN CC[C@@H](N)C#Cc1ccc(F)cc1F 229902952 344619896 /nfs/dbraw/zinc/61/98/96/344619896.db2.gz VBGCWKXBPMZSNU-SNVBAGLBSA-N 0 3 195.212 2.054 10 30 AEEEHN CC[C@@H](N)C#Cc1ccc(C)s1 229904953 344619906 /nfs/dbraw/zinc/61/99/06/344619906.db2.gz XKTACWFINLTTKF-SECBINFHSA-N 0 3 179.288 2.145 10 30 AEEEHN CCc1ccc(C#C[C@@H](N)CC)cc1 229902660 344619929 /nfs/dbraw/zinc/61/99/29/344619929.db2.gz BEWPPDCGYMPVKI-ZDUSSCGKSA-N 0 3 187.286 2.338 10 30 AEEEHN CCc1cccc(C#C[C@@H](N)CC)c1 229906864 344619933 /nfs/dbraw/zinc/61/99/33/344619933.db2.gz VULJUFXYVYOKGU-ZDUSSCGKSA-N 0 3 187.286 2.338 10 30 AEEEHN CC[C@H](N)C#Cc1ccc(C)s1 229904958 344619941 /nfs/dbraw/zinc/61/99/41/344619941.db2.gz XKTACWFINLTTKF-VIFPVBQESA-N 0 3 179.288 2.145 10 30 AEEEHN CC[C@@H](N)C#Cc1ccc(Cl)s1 229906292 344619947 /nfs/dbraw/zinc/61/99/47/344619947.db2.gz ZCOCIICUPMBICJ-SSDOTTSWSA-N 0 3 199.706 2.490 10 30 AEEEHN CC[C@H](N)C#Cc1ccc(C)cc1C 229902873 344619949 /nfs/dbraw/zinc/61/99/49/344619949.db2.gz ICGXVIBYSXSIMW-ZDUSSCGKSA-N 0 3 187.286 2.392 10 30 AEEEHN CC[C@H](N)C#Cc1ccsc1C 229909060 344620256 /nfs/dbraw/zinc/62/02/56/344620256.db2.gz MNIIILLTEWVWIV-JTQLQIEISA-N 0 3 179.288 2.145 10 30 AEEEHN CC[C@@H](N)C#Cc1sccc1Cl 229910205 344620298 /nfs/dbraw/zinc/62/02/98/344620298.db2.gz GVCXPJMXKDUPAK-SSDOTTSWSA-N 0 3 199.706 2.490 10 30 AEEEHN CC[C@H](N)C#Cc1sccc1Cl 229910210 344620320 /nfs/dbraw/zinc/62/03/20/344620320.db2.gz GVCXPJMXKDUPAK-ZETCQYMHSA-N 0 3 199.706 2.490 10 30 AEEEHN CC[C@@H](N)C#Cc1ccsc1C 229909054 344620339 /nfs/dbraw/zinc/62/03/39/344620339.db2.gz MNIIILLTEWVWIV-SNVBAGLBSA-N 0 3 179.288 2.145 10 30 AEEEHN C[C@@H](N)C#Cc1sccc1Cl 229945411 344620994 /nfs/dbraw/zinc/62/09/94/344620994.db2.gz IWDUUSQTBSWIJM-ZCFIWIBFSA-N 0 3 185.679 2.100 10 30 AEEEHN CC(C)(N)C#Cc1sccc1Cl 229945399 344621041 /nfs/dbraw/zinc/62/10/41/344621041.db2.gz IMHFIZAMXRYAAP-UHFFFAOYSA-N 0 3 199.706 2.490 10 30 AEEEHN CCNCC#Cc1sccc1Cl 229945350 344621045 /nfs/dbraw/zinc/62/10/45/344621045.db2.gz JDDWWJBCHXILQZ-UHFFFAOYSA-N 0 3 199.706 2.363 10 30 AEEEHN C[C@H](N)C#Cc1sccc1Cl 229945415 344621317 /nfs/dbraw/zinc/62/13/17/344621317.db2.gz IWDUUSQTBSWIJM-LURJTMIESA-N 0 3 185.679 2.100 10 30 AEEEHN C=C(C)[C@@H](N)c1cc(C)nc(C)c1 231660628 344656448 /nfs/dbraw/zinc/65/64/48/344656448.db2.gz CNHMZLUNSOGXOO-LLVKDONJSA-N 0 3 176.263 2.274 10 30 AEEEHN C=C[C@@H](NC)c1cc(C)nc(C)c1 231663210 344656479 /nfs/dbraw/zinc/65/64/79/344656479.db2.gz JHRMLDAJXOSEBR-LLVKDONJSA-N 0 3 176.263 2.145 10 30 AEEEHN C=C[C@H](NC)c1cc(C)nc(C)c1 231663212 344656492 /nfs/dbraw/zinc/65/64/92/344656492.db2.gz JHRMLDAJXOSEBR-NSHDSACASA-N 0 3 176.263 2.145 10 30 AEEEHN C=C(C)[C@H](N)c1cc(C)nc(C)c1 231660631 344656502 /nfs/dbraw/zinc/65/65/02/344656502.db2.gz CNHMZLUNSOGXOO-NSHDSACASA-N 0 3 176.263 2.274 10 30 AEEEHN CC#CCC[C@H](N)c1cnc(C)s1 232457871 344677794 /nfs/dbraw/zinc/67/77/94/344677794.db2.gz UWBOELFXRRSYFS-VIFPVBQESA-N 0 3 194.303 2.255 10 30 AEEEHN C/C=C/CNCc1ccc(C#N)cc1 232464551 344678152 /nfs/dbraw/zinc/67/81/52/344678152.db2.gz QRWGKTOJCCMEKI-NSCUHMNNSA-N 0 3 186.258 2.224 10 30 AEEEHN C/C=C/CNCc1cccc(C#N)c1 232464791 344678425 /nfs/dbraw/zinc/67/84/25/344678425.db2.gz YMLSCWLGOPJSKA-NSCUHMNNSA-N 0 3 186.258 2.224 10 30 AEEEHN CC(C)(N)C(=O)C1=CCCCCC1 232525835 344680874 /nfs/dbraw/zinc/68/08/74/344680874.db2.gz GUFWDHVIJCGMJK-UHFFFAOYSA-N 0 3 181.279 2.183 10 30 AEEEHN C#CC(C)(C)N[C@H]1C=CCCC1 232530563 344681063 /nfs/dbraw/zinc/68/10/63/344681063.db2.gz BKWDQTGXQVJBCS-JTQLQIEISA-N 0 3 163.264 2.097 10 30 AEEEHN CC(C)C1(CNC[C@@H](C)C#N)CC1 232531614 344681429 /nfs/dbraw/zinc/68/14/29/344681429.db2.gz FHCFHQVHFCLYGF-JTQLQIEISA-N 0 3 180.295 2.172 10 30 AEEEHN CC(C)C1(CNC[C@H](C)C#N)CC1 232531833 344681451 /nfs/dbraw/zinc/68/14/51/344681451.db2.gz FHCFHQVHFCLYGF-SNVBAGLBSA-N 0 3 180.295 2.172 10 30 AEEEHN C#CC(C)(C)N[C@@H]1C=CCCC1 232531349 344681600 /nfs/dbraw/zinc/68/16/00/344681600.db2.gz BKWDQTGXQVJBCS-SNVBAGLBSA-N 0 3 163.264 2.097 10 30 AEEEHN CC#CC[C@@H](N)c1sc(C)nc1C 232555874 344682262 /nfs/dbraw/zinc/68/22/62/344682262.db2.gz HWQZCLHRTIQWHE-SECBINFHSA-N 0 3 194.303 2.173 10 30 AEEEHN CC#CC[C@@H](N)c1ccoc1Cl 232555687 344682344 /nfs/dbraw/zinc/68/23/44/344682344.db2.gz LWVCPZSXZCSNCZ-MRVPVSSYSA-N 0 3 183.638 2.346 10 30 AEEEHN C=C(C)[C@@H](F)[C@@H]1CCCCN1 232555767 344682349 /nfs/dbraw/zinc/68/23/49/344682349.db2.gz FQYDIXZPIGJAED-DTWKUNHWSA-N 0 3 157.232 2.043 10 30 AEEEHN CC#CC[C@@H](N)c1ncccc1Cl 232555828 344682379 /nfs/dbraw/zinc/68/23/79/344682379.db2.gz DBACBPUIYPOKDA-SECBINFHSA-N 0 3 194.665 2.148 10 30 AEEEHN C=C(C)[C@@H](F)[C@H]1CCCCN1 232555840 344682424 /nfs/dbraw/zinc/68/24/24/344682424.db2.gz FQYDIXZPIGJAED-RKDXNWHRSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)[C@@H](N)c1cnc(C)s1 232557618 344682727 /nfs/dbraw/zinc/68/27/27/344682727.db2.gz KVBPQJOIQHUZPN-MRVPVSSYSA-N 0 3 168.265 2.027 10 30 AEEEHN C=C(C)[C@@H](N)c1sc(C)nc1C 232557747 344682787 /nfs/dbraw/zinc/68/27/87/344682787.db2.gz MFHRPYIIUGVDHZ-MRVPVSSYSA-N 0 3 182.292 2.336 10 30 AEEEHN C=C(C)[C@H](F)[C@H]1CCCCN1 232563173 344682928 /nfs/dbraw/zinc/68/29/28/344682928.db2.gz FQYDIXZPIGJAED-BDAKNGLRSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)[C@H](F)[C@@H]1CCCCN1 232563110 344683023 /nfs/dbraw/zinc/68/30/23/344683023.db2.gz FQYDIXZPIGJAED-IUCAKERBSA-N 0 3 157.232 2.043 10 30 AEEEHN CC(C)C1CC(NC[C@@H](C)C#N)C1 232562840 344683040 /nfs/dbraw/zinc/68/30/40/344683040.db2.gz BZGYGSKKBAAXSC-WHXUTIOJSA-N 0 3 180.295 2.170 10 30 AEEEHN CC(C)C1CC(NC[C@H](C)C#N)C1 232563603 344683262 /nfs/dbraw/zinc/68/32/62/344683262.db2.gz BZGYGSKKBAAXSC-KPPDAEKUSA-N 0 3 180.295 2.170 10 30 AEEEHN C=C(C)[C@H](N)c1sc(C)nc1C 232565144 344683320 /nfs/dbraw/zinc/68/33/20/344683320.db2.gz MFHRPYIIUGVDHZ-QMMMGPOBSA-N 0 3 182.292 2.336 10 30 AEEEHN CC(C)[C@@H](N)C(=O)C1=CCCCCC1 232691011 344688099 /nfs/dbraw/zinc/68/80/99/344688099.db2.gz UHLIOKOXOQYAHX-LLVKDONJSA-N 0 3 195.306 2.429 10 30 AEEEHN CC(C)[C@H](N)C(=O)C1=CCCCCC1 232725476 344688661 /nfs/dbraw/zinc/68/86/61/344688661.db2.gz UHLIOKOXOQYAHX-NSHDSACASA-N 0 3 195.306 2.429 10 30 AEEEHN CCCC1(CNCCC#N)CC1 232940364 344697633 /nfs/dbraw/zinc/69/76/33/344697633.db2.gz DWUBZRDTAJRUAV-UHFFFAOYSA-N 0 3 166.268 2.070 10 30 AEEEHN CC1(CN[C@H]2CCCC[C@@H]2C#N)CC1 233026946 344698648 /nfs/dbraw/zinc/69/86/48/344698648.db2.gz VKCXYKWRAQSNCQ-MNOVXSKESA-N 0 3 192.306 2.458 10 30 AEEEHN CC1(CN[C@H]2CCCC[C@H]2C#N)CC1 233027584 344698740 /nfs/dbraw/zinc/69/87/40/344698740.db2.gz VKCXYKWRAQSNCQ-QWRGUYRKSA-N 0 3 192.306 2.458 10 30 AEEEHN CC1(CN[C@@H]2CCCC[C@@H]2C#N)CC1 233018821 344698860 /nfs/dbraw/zinc/69/88/60/344698860.db2.gz VKCXYKWRAQSNCQ-GHMZBOCLSA-N 0 3 192.306 2.458 10 30 AEEEHN CC1(CN[C@@H]2CCCC[C@H]2C#N)CC1 233019874 344698871 /nfs/dbraw/zinc/69/88/71/344698871.db2.gz VKCXYKWRAQSNCQ-WDEREUQCSA-N 0 3 192.306 2.458 10 30 AEEEHN CCC[C@@H](C)N(CC)CCC#N 233275387 344699774 /nfs/dbraw/zinc/69/97/74/344699774.db2.gz HCZSLSHWZVXGCC-SNVBAGLBSA-N 0 3 168.284 2.411 10 30 AEEEHN CCC[C@H](C)N(CC)CCC#N 233333536 344700757 /nfs/dbraw/zinc/70/07/57/344700757.db2.gz HCZSLSHWZVXGCC-JTQLQIEISA-N 0 3 168.284 2.411 10 30 AEEEHN CCC(C#N)C(=O)c1csc(C)n1 233836487 344704865 /nfs/dbraw/zinc/70/48/65/344704865.db2.gz AIPDTYSDWGBQEJ-ZETCQYMHSA-N 0 3 194.259 2.184 10 30 AEEEHN CCC(C#N)C(=O)c1cnc(C)s1 233836418 344704970 /nfs/dbraw/zinc/70/49/70/344704970.db2.gz MJZUNCKCGNXBII-ZETCQYMHSA-N 0 3 194.259 2.184 10 30 AEEEHN C#C[C@H](N)c1ccc(SCC)cc1 233868722 344705251 /nfs/dbraw/zinc/70/52/51/344705251.db2.gz PUTDLFJHJDQMDL-NSHDSACASA-N 0 3 191.299 2.432 10 30 AEEEHN C#C[C@@H](N)c1ccc(SCC)cc1 233869821 344705268 /nfs/dbraw/zinc/70/52/68/344705268.db2.gz PUTDLFJHJDQMDL-LLVKDONJSA-N 0 3 191.299 2.432 10 30 AEEEHN CC[C@@H](CC#N)NCCC(C)(C)OC 233869281 344705331 /nfs/dbraw/zinc/70/53/31/344705331.db2.gz ADSVRAYOBQLEEO-JTQLQIEISA-N 0 3 198.310 2.083 10 30 AEEEHN CCC(C#N)C(=O)c1cnc(C)s1 233973119 344709166 /nfs/dbraw/zinc/70/91/66/344709166.db2.gz MJZUNCKCGNXBII-SSDOTTSWSA-N 0 3 194.259 2.184 10 30 AEEEHN CCC(C#N)C(=O)c1csc(C)n1 233973176 344709200 /nfs/dbraw/zinc/70/92/00/344709200.db2.gz AIPDTYSDWGBQEJ-SSDOTTSWSA-N 0 3 194.259 2.184 10 30 AEEEHN CC[C@H](CC#N)NCCC(C)(C)OC 234038641 344710617 /nfs/dbraw/zinc/71/06/17/344710617.db2.gz ADSVRAYOBQLEEO-SNVBAGLBSA-N 0 3 198.310 2.083 10 30 AEEEHN C#C[C@H](NC)c1c(C)cccc1C 234392143 344719882 /nfs/dbraw/zinc/71/98/82/344719882.db2.gz BVCDBTNMHIVKPY-NSHDSACASA-N 0 3 173.259 2.197 10 30 AEEEHN C#C[C@@H](NC)c1c(C)cccc1C 234448332 344721037 /nfs/dbraw/zinc/72/10/37/344721037.db2.gz BVCDBTNMHIVKPY-LLVKDONJSA-N 0 3 173.259 2.197 10 30 AEEEHN Cc1cc(C)c(C#C[C@@H](C)N)c(F)c1 235147190 344734499 /nfs/dbraw/zinc/73/44/99/344734499.db2.gz RUDMULDTSVZTOX-SNVBAGLBSA-N 0 3 191.249 2.141 10 30 AEEEHN C[C@@H](N)C(=O)C1=CCCCCCC1 235149248 344734556 /nfs/dbraw/zinc/73/45/56/344734556.db2.gz XVHRFSDKVSVGPQ-SECBINFHSA-N 0 3 181.279 2.183 10 30 AEEEHN C[C@H](N)C(=O)C1=CCCCCCC1 235490800 344751597 /nfs/dbraw/zinc/75/15/97/344751597.db2.gz XVHRFSDKVSVGPQ-VIFPVBQESA-N 0 3 181.279 2.183 10 30 AEEEHN Cc1cc(C)c(C#C[C@H](C)N)c(F)c1 235489384 344751762 /nfs/dbraw/zinc/75/17/62/344751762.db2.gz RUDMULDTSVZTOX-JTQLQIEISA-N 0 3 191.249 2.141 10 30 AEEEHN C#C[C@@H](N)c1ccc(Cl)cc1C 235747925 344765323 /nfs/dbraw/zinc/76/53/23/344765323.db2.gz QPBFQXVKANBUEH-SNVBAGLBSA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@H](N)c1ccc(C)cc1Cl 235800026 344766990 /nfs/dbraw/zinc/76/69/90/344766990.db2.gz OBEJPCAYNCSSAA-JTQLQIEISA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@@H](N)c1ccc(C)cc1Cl 235813950 344767771 /nfs/dbraw/zinc/76/77/71/344767771.db2.gz OBEJPCAYNCSSAA-SNVBAGLBSA-N 0 3 179.650 2.281 10 30 AEEEHN C#C[C@H](N)c1ccc(Cl)cc1C 235837853 344768499 /nfs/dbraw/zinc/76/84/99/344768499.db2.gz QPBFQXVKANBUEH-JTQLQIEISA-N 0 3 179.650 2.281 10 30 AEEEHN C=CC[C@H](N)c1cnc(C)s1 235837439 344768535 /nfs/dbraw/zinc/76/85/35/344768535.db2.gz PHPQYRSOYAHZCH-ZETCQYMHSA-N 0 3 168.265 2.027 10 30 AEEEHN C=C(Cl)CN[C@H]1C=CCCC1 236020832 344771350 /nfs/dbraw/zinc/77/13/50/344771350.db2.gz NSNWVXDGAOMJBO-VIFPVBQESA-N 0 3 171.671 2.437 10 30 AEEEHN C#C[C@H](N)c1ccc(Cl)c(F)c1 236290459 344779867 /nfs/dbraw/zinc/77/98/67/344779867.db2.gz PVSBZFRUMAFHOB-VIFPVBQESA-N 0 3 183.613 2.112 10 30 AEEEHN C#C[C@@H](N)c1ccc(Cl)c(F)c1 236301594 344780180 /nfs/dbraw/zinc/78/01/80/344780180.db2.gz PVSBZFRUMAFHOB-SECBINFHSA-N 0 3 183.613 2.112 10 30 AEEEHN C/N=C(\c1ccccc1)c1ccc[nH]1 238084765 344792717 /nfs/dbraw/zinc/79/27/17/344792717.db2.gz UIKQIWPLTICNFA-OUKQBFOZSA-N 0 3 184.242 2.482 10 30 AEEEHN CC(C)(C)CCCNCCC#N 238147199 344794090 /nfs/dbraw/zinc/79/40/90/344794090.db2.gz CTLWSIGUMIDBEK-UHFFFAOYSA-N 0 3 168.284 2.316 10 30 AEEEHN CCN[C@H](C)C#Cc1ccccc1 238266679 344798015 /nfs/dbraw/zinc/79/80/15/344798015.db2.gz HTZVUWXIYYPOFZ-LLVKDONJSA-N 0 3 173.259 2.036 10 30 AEEEHN CCN[C@@H](C)C#Cc1ccccc1 238285106 344799163 /nfs/dbraw/zinc/79/91/63/344799163.db2.gz HTZVUWXIYYPOFZ-NSHDSACASA-N 0 3 173.259 2.036 10 30 AEEEHN C=C[C@H](N)c1sccc1F 238606178 344815458 /nfs/dbraw/zinc/81/54/58/344815458.db2.gz JNTCHSSWYAYPQB-LURJTMIESA-N 0 3 157.213 2.073 10 30 AEEEHN CCCCN(C)[C@H]1CCC[C@H]1C#N 249946994 344828389 /nfs/dbraw/zinc/82/83/89/344828389.db2.gz ZSGVKOLNVHFRSJ-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CCCCN(C)[C@@H]1CCC[C@H]1C#N 249946999 344828438 /nfs/dbraw/zinc/82/84/38/344828438.db2.gz ZSGVKOLNVHFRSJ-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CN(CC1CCC1)[C@H]1CCC[C@H]1C#N 250395628 344833312 /nfs/dbraw/zinc/83/33/12/344833312.db2.gz LMWRDQCJKIYFOE-RYUDHWBXSA-N 0 3 192.306 2.411 10 30 AEEEHN CN(CC1CCC1)[C@@H]1CCC[C@H]1C#N 250395625 344833349 /nfs/dbraw/zinc/83/33/49/344833349.db2.gz LMWRDQCJKIYFOE-NWDGAFQWSA-N 0 3 192.306 2.411 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 251018913 344844212 /nfs/dbraw/zinc/84/42/12/344844212.db2.gz CFGQEDJTSRLTME-AXTSPUMRSA-N 0 3 177.247 2.151 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 251018915 344844384 /nfs/dbraw/zinc/84/43/84/344844384.db2.gz CFGQEDJTSRLTME-IMSYWVGJSA-N 0 3 177.247 2.151 10 30 AEEEHN CC1(C)C[C@@H]1N[C@@H]1CCC[C@H]1C#N 251105561 344847564 /nfs/dbraw/zinc/84/75/64/344847564.db2.gz BFRLUXUEIVPOJN-AEJSXWLSSA-N 0 3 178.279 2.067 10 30 AEEEHN CC1(C)C[C@@H]1N[C@H]1CCC[C@H]1C#N 251105566 344847501 /nfs/dbraw/zinc/84/75/01/344847501.db2.gz BFRLUXUEIVPOJN-GUBZILKMSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@H]2CCC[C@H]21 251122532 344847753 /nfs/dbraw/zinc/84/77/53/344847753.db2.gz RJAKPTWHRNGSEF-IJLUTSLNSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@H](CC1CC1)N[C@@H]1CCC[C@H]1C#N 251223786 344849882 /nfs/dbraw/zinc/84/98/82/344849882.db2.gz OTDQMXUMRAHALJ-ADEWGFFLSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H](CC1CC1)N[C@H]1CCC[C@H]1C#N 251223789 344850062 /nfs/dbraw/zinc/85/00/62/344850062.db2.gz OTDQMXUMRAHALJ-USWWRNFRSA-N 0 3 192.306 2.457 10 30 AEEEHN CCC[C@H](C)N[C@H]1CCC[C@H]1C#N 251361687 344852666 /nfs/dbraw/zinc/85/26/66/344852666.db2.gz SKTZFERUMDOCFV-DCAQKATOSA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@H](N[C@H]1CCC[C@H]1C#N)C1CC1 251347173 344852722 /nfs/dbraw/zinc/85/27/22/344852722.db2.gz LRHTZNBDQQACMR-SRVKXCTJSA-N 0 3 192.306 2.457 10 30 AEEEHN CC(C)[C@H](C)N[C@@H]1CCC[C@H]1C#N 251373772 344852730 /nfs/dbraw/zinc/85/27/30/344852730.db2.gz XSUHUPHXJBAMMM-GARJFASQSA-N 0 3 180.295 2.313 10 30 AEEEHN CC(C)[C@H](C)N[C@H]1CCC[C@H]1C#N 251373769 344852738 /nfs/dbraw/zinc/85/27/38/344852738.db2.gz XSUHUPHXJBAMMM-DCAQKATOSA-N 0 3 180.295 2.313 10 30 AEEEHN CC[C@H](N[C@@H]1CCC[C@H]1C#N)C1CC1 251347171 344852774 /nfs/dbraw/zinc/85/27/74/344852774.db2.gz LRHTZNBDQQACMR-SDDRHHMPSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@H](C)N[C@@H]1CCCC[C@H]1C#N 251390443 344853338 /nfs/dbraw/zinc/85/33/38/344853338.db2.gz WFDDLTWDUMOQKC-GARJFASQSA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@H](C)N[C@H]1CCCC[C@H]1C#N 251390439 344853401 /nfs/dbraw/zinc/85/34/01/344853401.db2.gz WFDDLTWDUMOQKC-DCAQKATOSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](N[C@@H]1CCC[C@H]1C#N)C1CC1 251534234 344856337 /nfs/dbraw/zinc/85/63/37/344856337.db2.gz KLUTYOWAJGWIHK-INTQDDNPSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@H](N[C@H]1CCC[C@H]1C#N)C1CC1 251534248 344856552 /nfs/dbraw/zinc/85/65/52/344856552.db2.gz KLUTYOWAJGWIHK-LSJOCFKGSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@H](C#N)CN1C[C@H](C)CC[C@@H]1C 251545209 344857080 /nfs/dbraw/zinc/85/70/80/344857080.db2.gz ATWHBMZHZCRRMW-MXWKQRLJSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN1C[C@@H](C)CC[C@H]1C 251545195 344857130 /nfs/dbraw/zinc/85/71/30/344857130.db2.gz ATWHBMZHZCRRMW-HBNTYKKESA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN1C[C@H](C)CC[C@H]1C 251545182 344857137 /nfs/dbraw/zinc/85/71/37/344857137.db2.gz ATWHBMZHZCRRMW-GMTAPVOTSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN1CC[C@@H](C)C[C@H]1C 251619809 344861238 /nfs/dbraw/zinc/86/12/38/344861238.db2.gz CLZDKEXYIFBEDA-GMTAPVOTSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN1CC[C@H](C)C[C@H]1C 251619815 344861270 /nfs/dbraw/zinc/86/12/70/344861270.db2.gz CLZDKEXYIFBEDA-HBNTYKKESA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN1CC[C@H](C)C[C@@H]1C 251619805 344861351 /nfs/dbraw/zinc/86/13/51/344861351.db2.gz CLZDKEXYIFBEDA-AXFHLTTASA-N 0 3 180.295 2.266 10 30 AEEEHN CC[C@@H]1CCN([C@H](C)CC#N)C1 251638463 344862492 /nfs/dbraw/zinc/86/24/92/344862492.db2.gz FVRXXVZWXUGYHQ-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN C[C@@H]1CCN([C@H]2CCCC[C@@H]2C#N)C1 251636661 344862661 /nfs/dbraw/zinc/86/26/61/344862661.db2.gz IULSBFXMACQCTR-UTUOFQBUSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H]1CCN([C@H]2CCCC[C@H]2C#N)C1 251636663 344862725 /nfs/dbraw/zinc/86/27/25/344862725.db2.gz IULSBFXMACQCTR-WOPDTQHZSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@H]1CCN([C@H](C)CC#N)C1 251638465 344862832 /nfs/dbraw/zinc/86/28/32/344862832.db2.gz FVRXXVZWXUGYHQ-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN C[C@@H]1CCN([C@@H]2CCCC[C@H]2C#N)C1 251636657 344862988 /nfs/dbraw/zinc/86/29/88/344862988.db2.gz IULSBFXMACQCTR-GRYCIOLGSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@@H]1CC[C@@H](C)N1C[C@H](C)C#N 251665920 344864298 /nfs/dbraw/zinc/86/42/98/344864298.db2.gz OHYSKQXXWRIKRJ-GMTAPVOTSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@@H]1CC[C@H](C)N1C[C@H](C)C#N 251665923 344864377 /nfs/dbraw/zinc/86/43/77/344864377.db2.gz OHYSKQXXWRIKRJ-OUAUKWLOSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@H](C#N)CN1C[C@@H](C)C[C@H](C)C1 251695144 344866423 /nfs/dbraw/zinc/86/64/23/344866423.db2.gz AZJMTRWUKPLLTE-GARJFASQSA-N 0 3 180.295 2.124 10 30 AEEEHN C[C@@H]1CC[C@@H](C)N([C@H](C)CC#N)C1 251699660 344866960 /nfs/dbraw/zinc/86/69/60/344866960.db2.gz HPMDRMDFSRDWKB-GMTAPVOTSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@H](N[C@H]1CCCC[C@H]1C#N)C1CC1 251702962 344866987 /nfs/dbraw/zinc/86/69/87/344866987.db2.gz XNTXTPLTLGYEHZ-DLOVCJGASA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H]1CC[C@@H](C)CN1[C@H](C)CC#N 251699663 344867334 /nfs/dbraw/zinc/86/73/34/344867334.db2.gz HPMDRMDFSRDWKB-OUAUKWLOSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@H](N[C@@H]1CCCC[C@H]1C#N)C1CC1 251702963 344867476 /nfs/dbraw/zinc/86/74/76/344867476.db2.gz XNTXTPLTLGYEHZ-ZMLRMANQSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1C[C@@H]1N[C@H]1CCCC[C@@H]1C#N 251747026 344870764 /nfs/dbraw/zinc/87/07/64/344870764.db2.gz CZVWYVWFFKMKCB-ZNSHCXBVSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1C[C@@H]1N[C@H]1CCCC[C@H]1C#N 251747017 344870841 /nfs/dbraw/zinc/87/08/41/344870841.db2.gz CZVWYVWFFKMKCB-RCWTZXSCSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1C[C@@H]1N[C@@H]1CCCC[C@H]1C#N 251747020 344870858 /nfs/dbraw/zinc/87/08/58/344870858.db2.gz CZVWYVWFFKMKCB-YTWAJWBKSA-N 0 3 178.279 2.067 10 30 AEEEHN CC[C@H]1CCCN1[C@H](C)CC#N 251841056 344875880 /nfs/dbraw/zinc/87/58/80/344875880.db2.gz QUKUFBFYTPPWMU-ZJUUUORDSA-N 0 3 166.268 2.163 10 30 AEEEHN CC[C@@H]1CCCN1[C@H](C)CC#N 251841055 344875920 /nfs/dbraw/zinc/87/59/20/344875920.db2.gz QUKUFBFYTPPWMU-NXEZZACHSA-N 0 3 166.268 2.163 10 30 AEEEHN CC[C@H](C)CN[C@H]1CCC[C@H]1C#N 251853984 344876682 /nfs/dbraw/zinc/87/66/82/344876682.db2.gz NLGFVKWGRQCMEO-DCAQKATOSA-N 0 3 180.295 2.314 10 30 AEEEHN CC[C@H](C)CN[C@@H]1CCC[C@H]1C#N 251853986 344876499 /nfs/dbraw/zinc/87/64/99/344876499.db2.gz NLGFVKWGRQCMEO-GARJFASQSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@H](C)CC1 252139934 344887671 /nfs/dbraw/zinc/88/76/71/344887671.db2.gz MCMQECOSRJSBIY-WDEREUQCSA-N 0 3 180.295 2.268 10 30 AEEEHN C[C@@H]1C[C@@H]1CN(C)[C@@H]1CCC[C@H]1C#N 252145791 344887749 /nfs/dbraw/zinc/88/77/49/344887749.db2.gz NWOXMUZICPOQAB-WRWGMCAJSA-N 0 3 192.306 2.266 10 30 AEEEHN C[C@@H]1C[C@@H]1CN(C)[C@H]1CCC[C@@H]1C#N 252145787 344887852 /nfs/dbraw/zinc/88/78/52/344887852.db2.gz NWOXMUZICPOQAB-KKOKHZNYSA-N 0 3 192.306 2.266 10 30 AEEEHN C[C@@H]1C[C@@H]1CN(C)[C@H]1CCC[C@H]1C#N 252145789 344887975 /nfs/dbraw/zinc/88/79/75/344887975.db2.gz NWOXMUZICPOQAB-KXNHARMFSA-N 0 3 192.306 2.266 10 30 AEEEHN C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2C#N)C1 252156996 344888927 /nfs/dbraw/zinc/88/89/27/344888927.db2.gz PGQOLJCVQMGUTE-NOOOWODRSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2C#N)C1 252156997 344889030 /nfs/dbraw/zinc/88/90/30/344889030.db2.gz PGQOLJCVQMGUTE-RHYQMDGZSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2C#N)C1 252156998 344889055 /nfs/dbraw/zinc/88/90/55/344889055.db2.gz PGQOLJCVQMGUTE-WYUUTHIRSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1CCN([C@H](C)CC#N)[C@H](C)C1 252172062 344889610 /nfs/dbraw/zinc/88/96/10/344889610.db2.gz ODUGLBHPXVISHT-GMTAPVOTSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@@H](C)[C@H]1C 252202934 344891383 /nfs/dbraw/zinc/89/13/83/344891383.db2.gz UMCOGPUAXRBXPI-GMTAPVOTSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@H](C)[C@H]1C 252202935 344891437 /nfs/dbraw/zinc/89/14/37/344891437.db2.gz UMCOGPUAXRBXPI-OUAUKWLOSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN1CCC[C@H](C)[C@@H]1C 252202937 344891549 /nfs/dbraw/zinc/89/15/49/344891549.db2.gz UMCOGPUAXRBXPI-VWYCJHECSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](C#N)CN1CCCCC[C@H]1C 252214403 344892777 /nfs/dbraw/zinc/89/27/77/344892777.db2.gz XGAVLNBYRQZHGV-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H]1C#N 252223057 344893781 /nfs/dbraw/zinc/89/37/81/344893781.db2.gz ZNUJYHLWGQSKOU-RHYQMDGZSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]1C#N 252223056 344893802 /nfs/dbraw/zinc/89/38/02/344893802.db2.gz ZNUJYHLWGQSKOU-NOOOWODRSA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H]1C#N 252223058 344893816 /nfs/dbraw/zinc/89/38/16/344893816.db2.gz ZNUJYHLWGQSKOU-WYUUTHIRSA-N 0 3 192.306 2.457 10 30 AEEEHN CC(C)[C@@H](C)N(C)C[C@H](C)C#N 252403774 344894483 /nfs/dbraw/zinc/89/44/83/344894483.db2.gz BUTLJZDQCHGANS-NXEZZACHSA-N 0 3 168.284 2.122 10 30 AEEEHN CC(C)[C@H](C)N(C)C[C@H](C)C#N 252403775 344894557 /nfs/dbraw/zinc/89/45/57/344894557.db2.gz BUTLJZDQCHGANS-ZJUUUORDSA-N 0 3 168.284 2.122 10 30 AEEEHN CN(CC1CC1)[C@@H]1CCCC[C@H]1C#N 252414861 344894776 /nfs/dbraw/zinc/89/47/76/344894776.db2.gz JWMJRHLYDPKKTH-NWDGAFQWSA-N 0 3 192.306 2.411 10 30 AEEEHN CN(CC1CC1)[C@@H]1CCC[C@H]1C#N 252417373 344894879 /nfs/dbraw/zinc/89/48/79/344894879.db2.gz RILLGHCYGKOHDM-WDEREUQCSA-N 0 3 178.279 2.020 10 30 AEEEHN CN(CC1CC1)[C@H]1CCC[C@H]1C#N 252417372 344895008 /nfs/dbraw/zinc/89/50/08/344895008.db2.gz RILLGHCYGKOHDM-QWRGUYRKSA-N 0 3 178.279 2.020 10 30 AEEEHN CC[C@H]1CCCN1C[C@H](C)C#N 252415542 344895072 /nfs/dbraw/zinc/89/50/72/344895072.db2.gz LLZVCGUTPXKJEK-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN CN(CC1CC1)[C@H]1CCCC[C@H]1C#N 252414863 344895188 /nfs/dbraw/zinc/89/51/88/344895188.db2.gz JWMJRHLYDPKKTH-RYUDHWBXSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@@H]1CCCN1C[C@H](C)C#N 252415541 344895201 /nfs/dbraw/zinc/89/52/01/344895201.db2.gz LLZVCGUTPXKJEK-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN CCCN(C)[C@H]1CCCC[C@H]1C#N 252434409 344895872 /nfs/dbraw/zinc/89/58/72/344895872.db2.gz FKSRYHMBKDACDU-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CCCN(C)[C@@H]1CCCC[C@H]1C#N 252434410 344896051 /nfs/dbraw/zinc/89/60/51/344896051.db2.gz FKSRYHMBKDACDU-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CCCN(C)[C@H]1CCC[C@H]1C#N 252436673 344896266 /nfs/dbraw/zinc/89/62/66/344896266.db2.gz QNPIPJXVEUWNIB-UWVGGRQHSA-N 0 3 166.268 2.020 10 30 AEEEHN CC[C@H]1CCCN([C@H](C)CC#N)C1 252439494 344896342 /nfs/dbraw/zinc/89/63/42/344896342.db2.gz PJZDQKIHPNFOBL-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H]1CCCN([C@H](C)CC#N)C1 252439493 344896531 /nfs/dbraw/zinc/89/65/31/344896531.db2.gz PJZDQKIHPNFOBL-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)CN(C)[C@@H]1CCC[C@H]1C#N 252435964 344896540 /nfs/dbraw/zinc/89/65/40/344896540.db2.gz MJMKSBMICFUCQU-WDEREUQCSA-N 0 3 180.295 2.266 10 30 AEEEHN CCCN(C)[C@@H]1CCC[C@H]1C#N 252436674 344896663 /nfs/dbraw/zinc/89/66/63/344896663.db2.gz QNPIPJXVEUWNIB-VHSXEESVSA-N 0 3 166.268 2.020 10 30 AEEEHN CC(C)CN(C)[C@H]1CCC[C@H]1C#N 252435963 344896693 /nfs/dbraw/zinc/89/66/93/344896693.db2.gz MJMKSBMICFUCQU-QWRGUYRKSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H](CC#N)N[C@@H]1CCCC[C@H]1C 252440037 344897132 /nfs/dbraw/zinc/89/71/32/344897132.db2.gz WHEWITWHGSQTPI-GMTAPVOTSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1CCCS[C@H]1C 252658716 344906570 /nfs/dbraw/zinc/90/65/70/344906570.db2.gz JDYJBDZCFMAKLO-KXUCPTDWSA-N 0 3 198.335 2.020 10 30 AEEEHN C[C@H](C#N)CN[C@H]1CCCS[C@H]1C 252658717 344906851 /nfs/dbraw/zinc/90/68/51/344906851.db2.gz JDYJBDZCFMAKLO-UTLUCORTSA-N 0 3 198.335 2.020 10 30 AEEEHN CC[C@@H]1CCN([C@H]2CCC[C@@H]2C#N)C1 252843480 344916086 /nfs/dbraw/zinc/91/60/86/344916086.db2.gz DDKOKUIVWCVRGY-UTUOFQBUSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@@H]1CCN([C@H]2CCC[C@H]2C#N)C1 252843482 344916210 /nfs/dbraw/zinc/91/62/10/344916210.db2.gz DDKOKUIVWCVRGY-WOPDTQHZSA-N 0 3 192.306 2.411 10 30 AEEEHN CC(C)[C@H]1CCN(C[C@H](C)C#N)C1 252862162 344916455 /nfs/dbraw/zinc/91/64/55/344916455.db2.gz NXJVESMKXLOTID-MNOVXSKESA-N 0 3 180.295 2.124 10 30 AEEEHN CC(C)[C@@H]1CCN(C[C@H](C)C#N)C1 252862160 344916935 /nfs/dbraw/zinc/91/69/35/344916935.db2.gz NXJVESMKXLOTID-GHMZBOCLSA-N 0 3 180.295 2.124 10 30 AEEEHN C[C@@H]1C[C@@H]1CN[C@@H]1CCCC[C@H]1C#N 252954339 344921802 /nfs/dbraw/zinc/92/18/02/344921802.db2.gz HQFUDSDEEVYISO-WRWGMCAJSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H]1C[C@@H]1CN[C@H]1CCCC[C@@H]1C#N 252954337 344921813 /nfs/dbraw/zinc/92/18/13/344921813.db2.gz HQFUDSDEEVYISO-KKOKHZNYSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H]1C[C@@H]1CN[C@H]1CCCC[C@H]1C#N 252954338 344921865 /nfs/dbraw/zinc/92/18/65/344921865.db2.gz HQFUDSDEEVYISO-KXNHARMFSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](CC#N)N[C@H]1CC[C@H](C)CC1 252960094 344922431 /nfs/dbraw/zinc/92/24/31/344922431.db2.gz MUGGVQFMMLASPN-GMTAPVOTSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CC#N)N[C@H]1CC[C@H](C)CC1 252960093 344922584 /nfs/dbraw/zinc/92/25/84/344922584.db2.gz MUGGVQFMMLASPN-DCAQKATOSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@H](N[C@H]1CCC[C@H]1C#N)C1CCC1 252981889 344923969 /nfs/dbraw/zinc/92/39/69/344923969.db2.gz TYAAAQAOLANRCB-DLOVCJGASA-N 0 3 192.306 2.457 10 30 AEEEHN C[C@H](N[C@@H]1CCC[C@H]1C#N)C1CCC1 252981890 344924022 /nfs/dbraw/zinc/92/40/22/344924022.db2.gz TYAAAQAOLANRCB-ZMLRMANQSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@H](CC#N)N1C[C@H](C)C[C@H]1C 253073075 344926778 /nfs/dbraw/zinc/92/67/78/344926778.db2.gz ONTCSEAJZFPKRP-GMTAPVOTSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H](CC#N)N1C[C@@H](C)C[C@H]1C 253073076 344926887 /nfs/dbraw/zinc/92/68/87/344926887.db2.gz ONTCSEAJZFPKRP-HBNTYKKESA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@H](C#N)CN[C@H]1CC[C@H](C)CC1 253112061 344926926 /nfs/dbraw/zinc/92/69/26/344926926.db2.gz DNHFYGNYKXUKMC-GMTAPVOTSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@@H](C#N)CN[C@H]1CC[C@H](C)CC1 253112059 344927215 /nfs/dbraw/zinc/92/72/15/344927215.db2.gz DNHFYGNYKXUKMC-DCAQKATOSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CCC[C@H]1C 253189802 344930870 /nfs/dbraw/zinc/93/08/70/344930870.db2.gz ZFWCWTZROFDCJB-IWSPIJDZSA-N 0 3 165.236 2.151 10 30 AEEEHN CC(C#N)C(=O)[C@H]1CCC[C@H]1C 253189801 344931115 /nfs/dbraw/zinc/93/11/15/344931115.db2.gz ZFWCWTZROFDCJB-HLTSFMKQSA-N 0 3 165.236 2.151 10 30 AEEEHN CC(=O)c1ccc(N=CN(C)C)cc1 254404403 344936017 /nfs/dbraw/zinc/93/60/17/344936017.db2.gz NDLZNSGHNYVFJS-UHFFFAOYSA-N 0 3 190.246 2.111 10 30 AEEEHN CC(C)CN(C)CC1(C#N)CCC1 258818713 344945609 /nfs/dbraw/zinc/94/56/09/344945609.db2.gz CFBGOFBUSAINPY-UHFFFAOYSA-N 0 3 180.295 2.268 10 30 AEEEHN CC(C)CN(C)CC(C)(C)C#N 258877663 344946441 /nfs/dbraw/zinc/94/64/41/344946441.db2.gz HNUTTXDEIBKVCH-UHFFFAOYSA-N 0 3 168.284 2.124 10 30 AEEEHN CC(C)NCC1(C#N)CCCC1 259930899 344951605 /nfs/dbraw/zinc/95/16/05/344951605.db2.gz BQIIGXZGAGVBSN-UHFFFAOYSA-N 0 3 166.268 2.068 10 30 AEEEHN CC(C)NCC1(C#N)CCCCC1 260229202 344952383 /nfs/dbraw/zinc/95/23/83/344952383.db2.gz XIFMJURHYZHSDE-UHFFFAOYSA-N 0 3 180.295 2.458 10 30 AEEEHN N#CCC1CN(CC2CCCCC2)C1 260966715 344954479 /nfs/dbraw/zinc/95/44/79/344954479.db2.gz JWXFABQHDSDIAT-UHFFFAOYSA-N 0 3 192.306 2.412 10 30 AEEEHN C#CC(C)(C)NCC#CC(C)(C)C 300732246 344984141 /nfs/dbraw/zinc/98/41/41/344984141.db2.gz GAYFCKCZBMBPOL-UHFFFAOYSA-N 0 3 177.291 2.037 10 30 AEEEHN CC(C)(C)C#CCN[C@@H]1CC1(C)C 300751166 344988425 /nfs/dbraw/zinc/98/84/25/344988425.db2.gz LFBHUMCBTZFOQL-SNVBAGLBSA-N 0 3 179.307 2.424 10 30 AEEEHN CC(C)(C)C#CCN[C@H]1CC1(C)C 300751165 344988628 /nfs/dbraw/zinc/98/86/28/344988628.db2.gz LFBHUMCBTZFOQL-JTQLQIEISA-N 0 3 179.307 2.424 10 30 AEEEHN CC(C)(C)C#CCN[C@@H]1CCSC1 300814472 345001028 /nfs/dbraw/zinc/00/10/28/345001028.db2.gz XZPXRMRGQKVAQG-SNVBAGLBSA-N 0 3 197.347 2.131 10 30 AEEEHN CC(C)(C)C#CCN[C@H]1CCSC1 300814469 345001309 /nfs/dbraw/zinc/00/13/09/345001309.db2.gz XZPXRMRGQKVAQG-JTQLQIEISA-N 0 3 197.347 2.131 10 30 AEEEHN Cc1ccc(C#C[C@H](N)C(C)C)s1 300867677 345007525 /nfs/dbraw/zinc/00/75/25/345007525.db2.gz HFDUXZUGINVRSX-NSHDSACASA-N 0 3 193.315 2.391 10 30 AEEEHN Cc1ccc(C#C[C@@H](N)C(C)C)s1 300867676 345007491 /nfs/dbraw/zinc/00/74/91/345007491.db2.gz HFDUXZUGINVRSX-LLVKDONJSA-N 0 3 193.315 2.391 10 30 AEEEHN CC(C)[C@H](N)C#Cc1cccs1 300901733 345010643 /nfs/dbraw/zinc/01/06/43/345010643.db2.gz LAGFUHOFPZADLN-SNVBAGLBSA-N 0 3 179.288 2.083 10 30 AEEEHN CC(C)[C@@H](N)C#Cc1cccs1 300901732 345010815 /nfs/dbraw/zinc/01/08/15/345010815.db2.gz LAGFUHOFPZADLN-JTQLQIEISA-N 0 3 179.288 2.083 10 30 AEEEHN CC(C)[C@H](N)C#Cc1ccsc1 300940219 345016197 /nfs/dbraw/zinc/01/61/97/345016197.db2.gz ORIMZWGFLXGQRZ-SNVBAGLBSA-N 0 3 179.288 2.083 10 30 AEEEHN CC(C)[C@@H](N)C#Cc1ccsc1 300940217 345016228 /nfs/dbraw/zinc/01/62/28/345016228.db2.gz ORIMZWGFLXGQRZ-JTQLQIEISA-N 0 3 179.288 2.083 10 30 AEEEHN Cc1cc(C#C[C@H](N)C(C)C)cs1 300954297 345018321 /nfs/dbraw/zinc/01/83/21/345018321.db2.gz QCTQBLPQPOJRMO-NSHDSACASA-N 0 3 193.315 2.391 10 30 AEEEHN Cc1ccsc1C#C[C@@H](N)C(C)C 300956767 345018482 /nfs/dbraw/zinc/01/84/82/345018482.db2.gz QLCFBKZRVOLUIO-SNVBAGLBSA-N 0 3 193.315 2.391 10 30 AEEEHN Cc1sccc1C#C[C@@H](N)C(C)C 300961323 345018965 /nfs/dbraw/zinc/01/89/65/345018965.db2.gz QYNDHJCFBFUSOT-LLVKDONJSA-N 0 3 193.315 2.391 10 30 AEEEHN Cc1sccc1C#C[C@H](N)C(C)C 300961326 345019147 /nfs/dbraw/zinc/01/91/47/345019147.db2.gz QYNDHJCFBFUSOT-NSHDSACASA-N 0 3 193.315 2.391 10 30 AEEEHN Cc1cccc(C#C[C@@H](N)C(C)C)c1 300971854 345020203 /nfs/dbraw/zinc/02/02/03/345020203.db2.gz SEIHATVELQXJHG-CYBMUJFWSA-N 0 3 187.286 2.330 10 30 AEEEHN Cc1cccc(C#C[C@H](N)C(C)C)c1 300971855 345020256 /nfs/dbraw/zinc/02/02/56/345020256.db2.gz SEIHATVELQXJHG-ZDUSSCGKSA-N 0 3 187.286 2.330 10 30 AEEEHN CC(C)[C@@H](N)C#Cc1ccc(F)cc1 300981241 345021744 /nfs/dbraw/zinc/02/17/44/345021744.db2.gz UFAQEIHAZBWFGG-LBPRGKRZSA-N 0 3 191.249 2.161 10 30 AEEEHN CC(C)[C@H](N)C#Cc1ccc(F)cc1 300981240 345021735 /nfs/dbraw/zinc/02/17/35/345021735.db2.gz UFAQEIHAZBWFGG-GFCCVEGCSA-N 0 3 191.249 2.161 10 30 AEEEHN Cc1ccccc1C#C[C@@H](N)C(C)C 301008132 345025063 /nfs/dbraw/zinc/02/50/63/345025063.db2.gz YFYPEYNAUILWHC-CYBMUJFWSA-N 0 3 187.286 2.330 10 30 AEEEHN Cc1ccccc1C#C[C@H](N)C(C)C 301008133 345025234 /nfs/dbraw/zinc/02/52/34/345025234.db2.gz YFYPEYNAUILWHC-ZDUSSCGKSA-N 0 3 187.286 2.330 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CCC(F)(F)C1 301038796 345031542 /nfs/dbraw/zinc/03/15/42/345031542.db2.gz YHGVPCTYCNIOTL-RNFRBKRXSA-N 0 3 187.189 2.151 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CCC(F)(F)C1 301038795 345031671 /nfs/dbraw/zinc/03/16/71/345031671.db2.gz YHGVPCTYCNIOTL-NKWVEPMBSA-N 0 3 187.189 2.151 10 30 AEEEHN CC(C#N)C(=O)[C@H]1CCC(F)(F)C1 301038797 345031689 /nfs/dbraw/zinc/03/16/89/345031689.db2.gz YHGVPCTYCNIOTL-RQJHMYQMSA-N 0 3 187.189 2.151 10 30 AEEEHN CC(C#N)C(=O)[C@H]1CCC(F)(F)C1 301038794 345031870 /nfs/dbraw/zinc/03/18/70/345031870.db2.gz YHGVPCTYCNIOTL-BQBZGAKWSA-N 0 3 187.189 2.151 10 30 AEEEHN C=CC1CCN(CC2(F)CC2)CC1 306163394 345054958 /nfs/dbraw/zinc/05/49/58/345054958.db2.gz HOCVTBCBZWXANI-UHFFFAOYSA-N 0 3 183.270 2.387 10 30 AEEEHN CC(C)=CC[C@]1(C#N)CCCNC1 306166440 345057828 /nfs/dbraw/zinc/05/78/28/345057828.db2.gz CXQBPILNOFTYRE-NSHDSACASA-N 0 3 178.279 2.236 10 30 AEEEHN N[C@@H](C#Cc1ccccc1)C1CCC1 306168594 345059684 /nfs/dbraw/zinc/05/96/84/345059684.db2.gz JVMXHQTZFKGVLB-ZDUSSCGKSA-N 0 3 185.270 2.166 10 30 AEEEHN N[C@H](C#Cc1ccccc1)C1CCC1 306168585 345060021 /nfs/dbraw/zinc/06/00/21/345060021.db2.gz JVMXHQTZFKGVLB-CYBMUJFWSA-N 0 3 185.270 2.166 10 30 AEEEHN C=C(CC)CNc1cccc(N)n1 306170021 345061768 /nfs/dbraw/zinc/06/17/68/345061768.db2.gz KJQWORYKYLQZDI-UHFFFAOYSA-N 0 3 177.251 2.042 10 30 AEEEHN C=C(Cl)CN1CCC[C@H]2C[C@H]21 306171540 345063334 /nfs/dbraw/zinc/06/33/34/345063334.db2.gz KEOSSPCXJQCACP-DTWKUNHWSA-N 0 3 171.671 2.223 10 30 AEEEHN C=C(Cl)CN1CCC[C@@H]2C[C@@H]21 306171538 345063401 /nfs/dbraw/zinc/06/34/01/345063401.db2.gz KEOSSPCXJQCACP-BDAKNGLRSA-N 0 3 171.671 2.223 10 30 AEEEHN C=C[C@H](C)N1CC[C@@H](C(F)F)C1 306186907 345077175 /nfs/dbraw/zinc/07/71/75/345077175.db2.gz BNNXCMLNPAJKND-JGVFFNPUSA-N 0 3 175.222 2.148 10 30 AEEEHN C=C[C@@H](C)N1CC[C@@H](C(F)F)C1 306186904 345077260 /nfs/dbraw/zinc/07/72/60/345077260.db2.gz BNNXCMLNPAJKND-HTQZYQBOSA-N 0 3 175.222 2.148 10 30 AEEEHN C=C[C@H](C)N1CC[C@H](C(F)F)C1 306186914 345077436 /nfs/dbraw/zinc/07/74/36/345077436.db2.gz BNNXCMLNPAJKND-YUMQZZPRSA-N 0 3 175.222 2.148 10 30 AEEEHN C=C[C@@H](C)N1CC[C@H](C(F)F)C1 306186910 345077502 /nfs/dbraw/zinc/07/75/02/345077502.db2.gz BNNXCMLNPAJKND-SFYZADRCSA-N 0 3 175.222 2.148 10 30 AEEEHN Cc1cc(N(C)CCC#N)cc(C)n1 306188505 345078954 /nfs/dbraw/zinc/07/89/54/345078954.db2.gz GDTNBZOGKDHPKA-UHFFFAOYSA-N 0 3 189.262 2.048 10 30 AEEEHN C#C[C@H](CC)Nc1ccnc(CC)c1 306189570 345079415 /nfs/dbraw/zinc/07/94/15/345079415.db2.gz DGVAXTVDVYEUAI-SNVBAGLBSA-N 0 3 188.274 2.468 10 30 AEEEHN C#C[C@@H](CC)Nc1ccnc(CC)c1 306189569 345079796 /nfs/dbraw/zinc/07/97/96/345079796.db2.gz DGVAXTVDVYEUAI-JTQLQIEISA-N 0 3 188.274 2.468 10 30 AEEEHN C=C(CC)C[C@]1(C#N)CCCNC1 306201823 345090320 /nfs/dbraw/zinc/09/03/20/345090320.db2.gz VJFSUNFMQUSEME-NSHDSACASA-N 0 3 178.279 2.236 10 30 AEEEHN C=C(CC)C[C@@]1(C#N)CCCNC1 306201821 345090406 /nfs/dbraw/zinc/09/04/06/345090406.db2.gz VJFSUNFMQUSEME-LLVKDONJSA-N 0 3 178.279 2.236 10 30 AEEEHN CC1(CN2CCCC[C@H]2C=O)CCC1 306221583 345114216 /nfs/dbraw/zinc/11/42/16/345114216.db2.gz PTYOCTHTPZRLMG-NSHDSACASA-N 0 3 195.306 2.230 10 30 AEEEHN CC1(CN2CCCC[C@@H]2C=O)CCC1 306221582 345114295 /nfs/dbraw/zinc/11/42/95/345114295.db2.gz PTYOCTHTPZRLMG-LLVKDONJSA-N 0 3 195.306 2.230 10 30 AEEEHN CC(C)(C#N)CN[C@@H]1CCC1(C)C 306225434 345119014 /nfs/dbraw/zinc/11/90/14/345119014.db2.gz FWJZZZLJRMWPEK-SECBINFHSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)(C#N)CN[C@H]1CCC1(C)C 306225436 345119022 /nfs/dbraw/zinc/11/90/22/345119022.db2.gz FWJZZZLJRMWPEK-VIFPVBQESA-N 0 3 180.295 2.314 10 30 AEEEHN CCNCC#Cc1ccsc1Cl 306230740 345123915 /nfs/dbraw/zinc/12/39/15/345123915.db2.gz KUCOXONJMZQNEM-UHFFFAOYSA-N 0 3 199.706 2.363 10 30 AEEEHN C#Cc1ccc(Cl)c(CNC)c1 306254446 345145733 /nfs/dbraw/zinc/14/57/33/345145733.db2.gz OAQNWQBRVGLWGV-UHFFFAOYSA-N 0 3 179.650 2.041 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2C[C@@H]21 306258850 345149237 /nfs/dbraw/zinc/14/92/37/345149237.db2.gz BRARZQRMXIIOCM-WTPMCQDGSA-N 0 3 190.290 2.067 10 30 AEEEHN C[C@H]1CN([C@H](C)CCC#N)CCS1 306261804 345152472 /nfs/dbraw/zinc/15/24/72/345152472.db2.gz LKDOVCWAXVGJFP-ZJUUUORDSA-N 0 3 198.335 2.116 10 30 AEEEHN C[C@H]1CN([C@@H](C)CCC#N)CCS1 306261799 345152479 /nfs/dbraw/zinc/15/24/79/345152479.db2.gz LKDOVCWAXVGJFP-UWVGGRQHSA-N 0 3 198.335 2.116 10 30 AEEEHN C=C[C@H](C)N1C[C@@H](C)OC(C)(C)C1 306284132 345168580 /nfs/dbraw/zinc/16/85/80/345168580.db2.gz JLKFQIZGCDIXBW-VHSXEESVSA-N 0 3 183.295 2.060 10 30 AEEEHN C=C[C@@H](C)N1C[C@@H](C)OC(C)(C)C1 306284128 345168685 /nfs/dbraw/zinc/16/86/85/345168685.db2.gz JLKFQIZGCDIXBW-NXEZZACHSA-N 0 3 183.295 2.060 10 30 AEEEHN C=C[C@H](C)N1C[C@H](C)OC(C)(C)C1 306284130 345168753 /nfs/dbraw/zinc/16/87/53/345168753.db2.gz JLKFQIZGCDIXBW-UWVGGRQHSA-N 0 3 183.295 2.060 10 30 AEEEHN C=C[C@@H](C)N1C[C@H](C)OC(C)(C)C1 306284134 345168825 /nfs/dbraw/zinc/16/88/25/345168825.db2.gz JLKFQIZGCDIXBW-ZJUUUORDSA-N 0 3 183.295 2.060 10 30 AEEEHN CC(C#N)C(=O)NC(C)(C)C(C)(C)C 306298697 345179187 /nfs/dbraw/zinc/17/91/87/345179187.db2.gz PDOBDKKUFUJIAI-QMMMGPOBSA-N 0 3 196.294 2.087 10 30 AEEEHN CC(C#N)C(=O)NC(C)(C)C(C)(C)C 306298696 345179260 /nfs/dbraw/zinc/17/92/60/345179260.db2.gz PDOBDKKUFUJIAI-MRVPVSSYSA-N 0 3 196.294 2.087 10 30 AEEEHN C=C(Cl)CN[C@@H]1CC[C@@H]2C[C@@H]21 306319982 345197478 /nfs/dbraw/zinc/19/74/78/345197478.db2.gz BMGCGVLFVPXQPC-HRDYMLBCSA-N 0 3 171.671 2.127 10 30 AEEEHN C=C(Cl)CN[C@@H]1CC[C@H]2C[C@H]21 306319972 345197649 /nfs/dbraw/zinc/19/76/49/345197649.db2.gz BMGCGVLFVPXQPC-DJLDLDEBSA-N 0 3 171.671 2.127 10 30 AEEEHN C/C(=C\Cl)C[C@]1(C#N)CCCNC1 306345427 345219494 /nfs/dbraw/zinc/21/94/94/345219494.db2.gz PPSZGUDPLQCVHE-ZKXNXJMVSA-N 0 3 198.697 2.412 10 30 AEEEHN C/C(=C\Cl)C[C@@]1(C#N)CCCNC1 306345425 345219666 /nfs/dbraw/zinc/21/96/66/345219666.db2.gz PPSZGUDPLQCVHE-OLKPEBQYSA-N 0 3 198.697 2.412 10 30 AEEEHN C[C@H](C#N)[C@H](C)N1CCCCCC1 306363261 345232939 /nfs/dbraw/zinc/23/29/39/345232939.db2.gz XFGGGULXNQBBNJ-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@H](C#N)[C@@H](C)N1CCCCCC1 306363260 345233168 /nfs/dbraw/zinc/23/31/68/345233168.db2.gz XFGGGULXNQBBNJ-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H](C#N)[C@@H](C)N1CCCCCC1 306363263 345233256 /nfs/dbraw/zinc/23/32/56/345233256.db2.gz XFGGGULXNQBBNJ-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H]([C@@H](C)C#N)N1CCCCCC1 306363262 345233342 /nfs/dbraw/zinc/23/33/42/345233342.db2.gz XFGGGULXNQBBNJ-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN CC#CC[C@@H](N)c1cncc(Cl)c1 306376065 345243332 /nfs/dbraw/zinc/24/33/32/345243332.db2.gz QOKWLWILSGFNMB-SNVBAGLBSA-N 0 3 194.665 2.148 10 30 AEEEHN CC#CC[C@H](N)c1cncc(Cl)c1 306376063 345243484 /nfs/dbraw/zinc/24/34/84/345243484.db2.gz QOKWLWILSGFNMB-JTQLQIEISA-N 0 3 194.665 2.148 10 30 AEEEHN C=C(C)[C@H](N)c1cncc(Cl)c1 306377106 345243952 /nfs/dbraw/zinc/24/39/52/345243952.db2.gz DOVNYPSZIFKRSP-VIFPVBQESA-N 0 3 182.654 2.311 10 30 AEEEHN C=C(C)[C@@H](N)c1cncc(Cl)c1 306377096 345244012 /nfs/dbraw/zinc/24/40/12/345244012.db2.gz DOVNYPSZIFKRSP-SECBINFHSA-N 0 3 182.654 2.311 10 30 AEEEHN C[C@H]1CC[C@H]1NCc1ccc(C#N)o1 306383956 345249094 /nfs/dbraw/zinc/24/90/94/345249094.db2.gz VWIXOTGMKBARRS-GZMMTYOYSA-N 0 3 190.246 2.039 10 30 AEEEHN C#CCN1CC[C@H](C)C2(CCC2)C1 306392724 345255143 /nfs/dbraw/zinc/25/51/43/345255143.db2.gz DEEFSWUMPMBPLF-NSHDSACASA-N 0 3 177.291 2.132 10 30 AEEEHN C#CCN1CC[C@@H](C)C2(CCC2)C1 306392723 345255306 /nfs/dbraw/zinc/25/53/06/345255306.db2.gz DEEFSWUMPMBPLF-LLVKDONJSA-N 0 3 177.291 2.132 10 30 AEEEHN C#C[C@H](N)C(C)(C)C(C)(C)C 306442058 345302730 /nfs/dbraw/zinc/30/27/30/345302730.db2.gz JTDZLVRBPHXVIH-QMMMGPOBSA-N 0 3 153.269 2.019 10 30 AEEEHN C#C[C@@H](N)C(C)(C)C(C)(C)C 306442057 345302590 /nfs/dbraw/zinc/30/25/90/345302590.db2.gz JTDZLVRBPHXVIH-MRVPVSSYSA-N 0 3 153.269 2.019 10 30 AEEEHN C=C(c1cnccc1N)C(F)(F)F 306452095 345312711 /nfs/dbraw/zinc/31/27/11/345312711.db2.gz FDMAXMBFNVPOSM-UHFFFAOYSA-N 0 3 188.152 2.239 10 30 AEEEHN C[C@H](N[C@H]1CCC[C@H]1C#N)[C@H]1C[C@H]1C 306466531 345327147 /nfs/dbraw/zinc/32/71/47/345327147.db2.gz GKKXSCVGVJFKOL-DGORSVRFSA-N 0 3 192.306 2.313 10 30 AEEEHN C[C@H](N[C@@H]1CCC[C@H]1C#N)[C@H]1C[C@H]1C 306466534 345327198 /nfs/dbraw/zinc/32/71/98/345327198.db2.gz GKKXSCVGVJFKOL-WTPMCQDGSA-N 0 3 192.306 2.313 10 30 AEEEHN C[C@H](N[C@H]1CCC[C@@H]1C#N)[C@H]1C[C@H]1C 306466532 345327228 /nfs/dbraw/zinc/32/72/28/345327228.db2.gz GKKXSCVGVJFKOL-LVEVGFFFSA-N 0 3 192.306 2.313 10 30 AEEEHN CC1(C[C@@]2(C#N)CCCNC2)CCC1 306468841 345330538 /nfs/dbraw/zinc/33/05/38/345330538.db2.gz OGUUIVOPWRAUID-GFCCVEGCSA-N 0 3 192.306 2.460 10 30 AEEEHN CC#CCNc1ccnc(CC)c1 306469687 345332190 /nfs/dbraw/zinc/33/21/90/345332190.db2.gz VLDSGMOLXFPNSG-UHFFFAOYSA-N 0 3 174.247 2.079 10 30 AEEEHN C=CCCN1CC2(C1)CC(F)(F)C2 306472799 345336482 /nfs/dbraw/zinc/33/64/82/345336482.db2.gz UCKOKSMYGWGWBR-UHFFFAOYSA-N 0 3 187.233 2.294 10 30 AEEEHN CNC1(C(=O)C=C(C)C)CCCC1 306481761 345350255 /nfs/dbraw/zinc/35/02/55/345350255.db2.gz OEYFBXHJVRYTFJ-UHFFFAOYSA-N 0 3 181.279 2.054 10 30 AEEEHN C#CC[C@@H](N)c1cc(C)cs1 306485756 345355508 /nfs/dbraw/zinc/35/55/08/345355508.db2.gz HWYSTXMRNIQZLN-MRVPVSSYSA-N 0 3 165.261 2.080 10 30 AEEEHN C#CC[C@H](N)c1cc(C)cs1 306485757 345355631 /nfs/dbraw/zinc/35/56/31/345355631.db2.gz HWYSTXMRNIQZLN-QMMMGPOBSA-N 0 3 165.261 2.080 10 30 AEEEHN C=C[C@H](C)N[C@@H]1Cc2ccccc21 306488290 345358907 /nfs/dbraw/zinc/35/89/07/345358907.db2.gz KBHYPLNCOYYSRS-JOYOIKCWSA-N 0 3 173.259 2.448 10 30 AEEEHN C=C[C@@H](C)N[C@@H]1Cc2ccccc21 306488287 345358914 /nfs/dbraw/zinc/35/89/14/345358914.db2.gz KBHYPLNCOYYSRS-BXKDBHETSA-N 0 3 173.259 2.448 10 30 AEEEHN C=C[C@H](C)N[C@H]1Cc2ccccc21 306488288 345359112 /nfs/dbraw/zinc/35/91/12/345359112.db2.gz KBHYPLNCOYYSRS-CABZTGNLSA-N 0 3 173.259 2.448 10 30 AEEEHN C=C[C@@H](C)N[C@H]1Cc2ccccc21 306488291 345359198 /nfs/dbraw/zinc/35/91/98/345359198.db2.gz KBHYPLNCOYYSRS-SKDRFNHKSA-N 0 3 173.259 2.448 10 30 AEEEHN C=C1CCCN(Cc2cc[nH]c2)C1 306489502 345360662 /nfs/dbraw/zinc/36/06/62/345360662.db2.gz LSMDLWKKYNLDAF-UHFFFAOYSA-N 0 3 176.263 2.167 10 30 AEEEHN C#CCN1CCC(C)(C2CC2)CC1 306489981 345362003 /nfs/dbraw/zinc/36/20/03/345362003.db2.gz MLPMFMVCZWVUTR-UHFFFAOYSA-N 0 3 177.291 2.132 10 30 AEEEHN C[C@H]1CCCCN([C@H](C)CC#N)C1 306503834 345377935 /nfs/dbraw/zinc/37/79/35/345377935.db2.gz IFMYTBOTKVELNV-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H]1CCCCN([C@H](C)CC#N)C1 306503831 345378003 /nfs/dbraw/zinc/37/80/03/345378003.db2.gz IFMYTBOTKVELNV-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@H]1CCCCN([C@@H](C)CC#N)C1 306503833 345378027 /nfs/dbraw/zinc/37/80/27/345378027.db2.gz IFMYTBOTKVELNV-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@H](CC#N)N1CCCC[C@@H](C)C1 306503832 345378038 /nfs/dbraw/zinc/37/80/38/345378038.db2.gz IFMYTBOTKVELNV-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@H]1[C@H](C)CN1CCC(C)(C)C#N 306527006 345398683 /nfs/dbraw/zinc/39/86/83/345398683.db2.gz WDDYQKMGIUVYSO-ZJUUUORDSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H]1CN(CCC(C)(C)C#N)[C@@H]1C 306527005 345398869 /nfs/dbraw/zinc/39/88/69/345398869.db2.gz WDDYQKMGIUVYSO-VHSXEESVSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@H]1CN(CCC(C)(C)C#N)[C@H]1C 306527004 345398905 /nfs/dbraw/zinc/39/89/05/345398905.db2.gz WDDYQKMGIUVYSO-UWVGGRQHSA-N 0 3 180.295 2.266 10 30 AEEEHN CC[C@H](CC#N)N1C[C@H]2[C@@H](C1)C2(C)C 306534869 345407530 /nfs/dbraw/zinc/40/75/30/345407530.db2.gz FIOQNHWWMFICNN-MXWKQRLJSA-N 0 3 192.306 2.266 10 30 AEEEHN CC[C@@H](CC#N)N1C[C@H]2[C@@H](C1)C2(C)C 306534867 345407635 /nfs/dbraw/zinc/40/76/35/345407635.db2.gz FIOQNHWWMFICNN-GARJFASQSA-N 0 3 192.306 2.266 10 30 AEEEHN C[C@@H]1CCC[C@H]1N(C)CCC#N 306543037 345417157 /nfs/dbraw/zinc/41/71/57/345417157.db2.gz ZPSQRGBPXNAZJC-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN C[C@H]1CCC[C@H]1N(C)CCC#N 306543042 345417176 /nfs/dbraw/zinc/41/71/76/345417176.db2.gz ZPSQRGBPXNAZJC-VHSXEESVSA-N 0 3 166.268 2.020 10 30 AEEEHN C[C@H]1CCC[C@@H]1N(C)CCC#N 306543040 345417246 /nfs/dbraw/zinc/41/72/46/345417246.db2.gz ZPSQRGBPXNAZJC-UWVGGRQHSA-N 0 3 166.268 2.020 10 30 AEEEHN C[C@@H]1CCC[C@@H]1N(C)CCC#N 306543044 345417327 /nfs/dbraw/zinc/41/73/27/345417327.db2.gz ZPSQRGBPXNAZJC-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN CCC#C[C@@H](C)N1CC=CCC1 306546080 345420424 /nfs/dbraw/zinc/42/04/24/345420424.db2.gz HGKRSJKKBUKXND-LLVKDONJSA-N 0 3 163.264 2.050 10 30 AEEEHN CCC#C[C@H](C)N1CC=CCC1 306546086 345420601 /nfs/dbraw/zinc/42/06/01/345420601.db2.gz HGKRSJKKBUKXND-NSHDSACASA-N 0 3 163.264 2.050 10 30 AEEEHN CCC#C[C@@H](C)N1CCCSCC1 306548522 345423138 /nfs/dbraw/zinc/42/31/38/345423138.db2.gz GNCQCLZREVASBE-LLVKDONJSA-N 0 3 197.347 2.227 10 30 AEEEHN CCC#C[C@H](C)N1CCCSCC1 306548523 345423250 /nfs/dbraw/zinc/42/32/50/345423250.db2.gz GNCQCLZREVASBE-NSHDSACASA-N 0 3 197.347 2.227 10 30 AEEEHN CC#CCCN1CCC[C@H](CC#N)C1 306552771 345428659 /nfs/dbraw/zinc/42/86/59/345428659.db2.gz DITGDIJFPGJFNV-GFCCVEGCSA-N 0 3 190.290 2.025 10 30 AEEEHN CC(C)(C=O)N1CCC[C@@H]2CCC[C@@H]21 306562076 345437666 /nfs/dbraw/zinc/43/76/66/345437666.db2.gz UCWKJXZGCBVFJO-QWRGUYRKSA-N 0 3 195.306 2.228 10 30 AEEEHN CC(C)(C=O)N1CCC[C@H]2CCC[C@@H]21 306562074 345437826 /nfs/dbraw/zinc/43/78/26/345437826.db2.gz UCWKJXZGCBVFJO-MNOVXSKESA-N 0 3 195.306 2.228 10 30 AEEEHN CC(C)(C=O)N1CCC[C@H]2CCC[C@H]21 306562073 345437872 /nfs/dbraw/zinc/43/78/72/345437872.db2.gz UCWKJXZGCBVFJO-GHMZBOCLSA-N 0 3 195.306 2.228 10 30 AEEEHN C=C(C)C[C@H]([NH3+])c1cc(O)ccc1[O-] 306562214 345437931 /nfs/dbraw/zinc/43/79/31/345437931.db2.gz CEFDHDPJCDFYOI-JTQLQIEISA-N 0 3 193.246 2.064 10 30 AEEEHN CC[C@H]1CCCN(C(C)(C)C=O)C1 306565169 345441043 /nfs/dbraw/zinc/44/10/43/345441043.db2.gz XNNUAFWPAABURE-JTQLQIEISA-N 0 3 183.295 2.086 10 30 AEEEHN CC[C@@H]1CCCN(C(C)(C)C=O)C1 306565170 345441183 /nfs/dbraw/zinc/44/11/83/345441183.db2.gz XNNUAFWPAABURE-SNVBAGLBSA-N 0 3 183.295 2.086 10 30 AEEEHN C=C[C@@H](C)N1CCC[C@H](CC#N)C1 306579017 345456166 /nfs/dbraw/zinc/45/61/66/345456166.db2.gz MZDIYEVFGRCLRS-GHMZBOCLSA-N 0 3 178.279 2.187 10 30 AEEEHN C=C[C@H](C)N1CCC[C@@H](CC#N)C1 306579022 345456284 /nfs/dbraw/zinc/45/62/84/345456284.db2.gz MZDIYEVFGRCLRS-QWRGUYRKSA-N 0 3 178.279 2.187 10 30 AEEEHN C=C[C@@H](C)N1CCC[C@@H](CC#N)C1 306579020 345456373 /nfs/dbraw/zinc/45/63/73/345456373.db2.gz MZDIYEVFGRCLRS-MNOVXSKESA-N 0 3 178.279 2.187 10 30 AEEEHN C=C(C)C[C@H]([NH3+])c1ccc([O-])c(F)c1 306587218 345464531 /nfs/dbraw/zinc/46/45/31/345464531.db2.gz SBSGCXMYOVYHDV-JTQLQIEISA-N 0 3 195.237 2.497 10 30 AEEEHN C=C(C)[C@H](N)c1cnc(C)cc1C 306590060 345467559 /nfs/dbraw/zinc/46/75/59/345467559.db2.gz XLSIJLAIFLEGAH-NSHDSACASA-N 0 3 176.263 2.274 10 30 AEEEHN C=C(C)[C@@H](N)c1cnc(C)cc1C 306590059 345467669 /nfs/dbraw/zinc/46/76/69/345467669.db2.gz XLSIJLAIFLEGAH-LLVKDONJSA-N 0 3 176.263 2.274 10 30 AEEEHN N#C[C@H]1CC[C@H](Nc2ccncc2)C1 306611473 345485416 /nfs/dbraw/zinc/48/54/16/345485416.db2.gz GKNMJOSTBUEYNK-ONGXEEELSA-N 0 3 187.246 2.186 10 30 AEEEHN N#C[C@@H]1CC[C@@H](Nc2ccncc2)C1 306611472 345485484 /nfs/dbraw/zinc/48/54/84/345485484.db2.gz GKNMJOSTBUEYNK-MWLCHTKSSA-N 0 3 187.246 2.186 10 30 AEEEHN N#C[C@@H]1CC[C@H](Nc2ccncc2)C1 306611471 345485544 /nfs/dbraw/zinc/48/55/44/345485544.db2.gz GKNMJOSTBUEYNK-KOLCDFICSA-N 0 3 187.246 2.186 10 30 AEEEHN N#C[C@H]1CC[C@@H](Nc2ccncc2)C1 306611470 345485736 /nfs/dbraw/zinc/48/57/36/345485736.db2.gz GKNMJOSTBUEYNK-GXSJLCMTSA-N 0 3 187.246 2.186 10 30 AEEEHN CC[C@H]1CC[C@@H](C)N(CCC#N)C1 306612180 345486129 /nfs/dbraw/zinc/48/61/29/345486129.db2.gz IAASXCRTFVOEEP-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN CC#CC[C@@H](N)c1cc(C)cc(C)n1 306611997 345486250 /nfs/dbraw/zinc/48/62/50/345486250.db2.gz HREVJCVOQLWDPD-LLVKDONJSA-N 0 3 188.274 2.112 10 30 AEEEHN CC#CC[C@H](N)c1cc(C)cc(C)n1 306611998 345486301 /nfs/dbraw/zinc/48/63/01/345486301.db2.gz HREVJCVOQLWDPD-NSHDSACASA-N 0 3 188.274 2.112 10 30 AEEEHN C[C@@H](C#N)CN1C[C@H]2CCCC[C@H]2C1 306613219 345486827 /nfs/dbraw/zinc/48/68/27/345486827.db2.gz KGOUEMKIDLICHQ-SDDRHHMPSA-N 0 3 192.306 2.268 10 30 AEEEHN C[C@H](C#N)CN1C[C@H]2CCCC[C@H]2C1 306613220 345486877 /nfs/dbraw/zinc/48/68/77/345486877.db2.gz KGOUEMKIDLICHQ-UTUOFQBUSA-N 0 3 192.306 2.268 10 30 AEEEHN C#CCNCc1cc(C)cc(Cl)c1 306616439 345490133 /nfs/dbraw/zinc/49/01/33/345490133.db2.gz OTVLAJXIDVBIFY-UHFFFAOYSA-N 0 3 193.677 2.371 10 30 AEEEHN Cc1cc(F)c(C#CCN)cc1Cl 306642347 345510181 /nfs/dbraw/zinc/51/01/81/345510181.db2.gz SOKIMMYYHCCNSJ-UHFFFAOYSA-N 0 3 197.640 2.098 10 30 AEEEHN CN(C1CC(C)(C)C1)C(C)(C)C=O 306643776 345512341 /nfs/dbraw/zinc/51/23/41/345512341.db2.gz XSQTWUGHFKITTB-UHFFFAOYSA-N 0 3 183.295 2.084 10 30 AEEEHN C#CC[C@H](c1ccccc1)N(C)C 306652291 345519088 /nfs/dbraw/zinc/51/90/88/345519088.db2.gz GKXQWAGMZNATBK-GFCCVEGCSA-N 0 3 173.259 2.313 10 30 AEEEHN C#CC[C@@H](c1ccccc1)N(C)C 306652292 345519189 /nfs/dbraw/zinc/51/91/89/345519189.db2.gz GKXQWAGMZNATBK-LBPRGKRZSA-N 0 3 173.259 2.313 10 30 AEEEHN C=C(C(F)(F)F)[C@]1(F)CCCNC1 306667485 345530038 /nfs/dbraw/zinc/53/00/38/345530038.db2.gz VOYSBHMDDCWCDZ-ZETCQYMHSA-N 0 3 197.175 2.197 10 30 AEEEHN C=C(C(F)(F)F)[C@@]1(F)CCCNC1 306667484 345530286 /nfs/dbraw/zinc/53/02/86/345530286.db2.gz VOYSBHMDDCWCDZ-SSDOTTSWSA-N 0 3 197.175 2.197 10 30 AEEEHN CC1(C)CN(CC2(CS)CC2)C1 306674217 345536085 /nfs/dbraw/zinc/53/60/85/345536085.db2.gz PUZQMLRWMWSBPK-UHFFFAOYSA-N 0 3 185.336 2.038 10 30 AEEEHN C#C[C@@](C)(CC)NCC#CC(C)(C)C 306680068 345541519 /nfs/dbraw/zinc/54/15/19/345541519.db2.gz JOBNLXFOQXBWGH-ZDUSSCGKSA-N 0 3 191.318 2.427 10 30 AEEEHN C#C[C@](C)(CC)NCC#CC(C)(C)C 306680067 345541538 /nfs/dbraw/zinc/54/15/38/345541538.db2.gz JOBNLXFOQXBWGH-CYBMUJFWSA-N 0 3 191.318 2.427 10 30 AEEEHN C#Cc1ccc(Cl)cc1CNC 306695746 345552426 /nfs/dbraw/zinc/55/24/26/345552426.db2.gz VMCLHOGFUAKYJG-UHFFFAOYSA-N 0 3 179.650 2.041 10 30 AEEEHN CC1(C)CCN(C(C)(C)C=O)CC1 306705131 345559090 /nfs/dbraw/zinc/55/90/90/345559090.db2.gz OIVDLVHADWRVLD-UHFFFAOYSA-N 0 3 183.295 2.086 10 30 AEEEHN C[C@@H]1[C@@H](N[C@@H]2CCC[C@@H]2C#N)C[C@H]1C 306709882 345562739 /nfs/dbraw/zinc/56/27/39/345562739.db2.gz SJUHTPGOHVIYHV-ROHXPCBUSA-N 0 3 192.306 2.313 10 30 AEEEHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)[C@@H]1C 306709881 345562802 /nfs/dbraw/zinc/56/28/02/345562802.db2.gz SJUHTPGOHVIYHV-OOCWMUITSA-N 0 3 192.306 2.313 10 30 AEEEHN C[C@@H]1[C@@H](N[C@@H]2CCC[C@H]2C#N)C[C@H]1C 306709880 345562833 /nfs/dbraw/zinc/56/28/33/345562833.db2.gz SJUHTPGOHVIYHV-IIRVCBMXSA-N 0 3 192.306 2.313 10 30 AEEEHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)[C@@H]1C 306709884 345563048 /nfs/dbraw/zinc/56/30/48/345563048.db2.gz SJUHTPGOHVIYHV-ZIQFBCGOSA-N 0 3 192.306 2.313 10 30 AEEEHN CC#CCN(C)CC1(C)CCC1 306721679 345572379 /nfs/dbraw/zinc/57/23/79/345572379.db2.gz FBKWNPGCISKKGK-UHFFFAOYSA-N 0 3 165.280 2.132 10 30 AEEEHN C[C@@H]1CCC[C@@H](C)N1C(C)(C)C=O 306735034 345582169 /nfs/dbraw/zinc/58/21/69/345582169.db2.gz OXAAVHWMSRGFRP-NXEZZACHSA-N 0 3 183.295 2.227 10 30 AEEEHN C[C@H]1CCC[C@@H](C)N1C(C)(C)C=O 306735033 345582462 /nfs/dbraw/zinc/58/24/62/345582462.db2.gz OXAAVHWMSRGFRP-AOOOYVTPSA-N 0 3 183.295 2.227 10 30 AEEEHN C=C(C)C[C@@H](N)c1cccnc1F 306742200 345586384 /nfs/dbraw/zinc/58/63/84/345586384.db2.gz VMSIAFOBRWVIKR-SECBINFHSA-N 0 3 180.226 2.187 10 30 AEEEHN C=C(C)[C@@H](N)c1sccc1F 306746262 345589086 /nfs/dbraw/zinc/58/90/86/345589086.db2.gz DGQQSHMMXKKHPW-SSDOTTSWSA-N 0 3 171.240 2.463 10 30 AEEEHN C=C(C)[C@H](N)c1sccc1F 306746274 345589280 /nfs/dbraw/zinc/58/92/80/345589280.db2.gz DGQQSHMMXKKHPW-ZETCQYMHSA-N 0 3 171.240 2.463 10 30 AEEEHN CC[C@@H]1CC[C@@H]1N[C@H]1CCC[C@@H]1C#N 306757505 345593957 /nfs/dbraw/zinc/59/39/57/345593957.db2.gz SLGKGBCLHRUQBA-WYUUTHIRSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H]1CC[C@@H]1N[C@H]1CCC[C@H]1C#N 306757504 345594063 /nfs/dbraw/zinc/59/40/63/345594063.db2.gz SLGKGBCLHRUQBA-RHYQMDGZSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H]1CC[C@@H]1N[C@@H]1CCC[C@@H]1C#N 306757502 345594154 /nfs/dbraw/zinc/59/41/54/345594154.db2.gz SLGKGBCLHRUQBA-KKOKHZNYSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H]1CC[C@@H]1N[C@@H]1CCC[C@H]1C#N 306757503 345594193 /nfs/dbraw/zinc/59/41/93/345594193.db2.gz SLGKGBCLHRUQBA-KXNHARMFSA-N 0 3 192.306 2.457 10 30 AEEEHN C#C[C@H](C)Nc1ccnc(CC)c1 306757751 345594530 /nfs/dbraw/zinc/59/45/30/345594530.db2.gz SWAGVIQWFYVICZ-VIFPVBQESA-N 0 3 174.247 2.078 10 30 AEEEHN C#C[C@@H](C)Nc1ccnc(CC)c1 306757750 345594583 /nfs/dbraw/zinc/59/45/83/345594583.db2.gz SWAGVIQWFYVICZ-SECBINFHSA-N 0 3 174.247 2.078 10 30 AEEEHN N#C[C@@]1(CC2CCC2)CCCNC1 306760790 345596568 /nfs/dbraw/zinc/59/65/68/345596568.db2.gz RJMWHQBLHJDWCT-NSHDSACASA-N 0 3 178.279 2.070 10 30 AEEEHN N#C[C@]1(CC2CCC2)CCCNC1 306760787 345596836 /nfs/dbraw/zinc/59/68/36/345596836.db2.gz RJMWHQBLHJDWCT-LLVKDONJSA-N 0 3 178.279 2.070 10 30 AEEEHN C[C@@H]1CC[C@@H](C)N(C(C)(C)C=O)C1 306770345 345604096 /nfs/dbraw/zinc/60/40/96/345604096.db2.gz QNAAFUACNLNKMJ-NXEZZACHSA-N 0 3 183.295 2.084 10 30 AEEEHN C[C@H]1CC[C@@H](C)N(C(C)(C)C=O)C1 306770351 345604151 /nfs/dbraw/zinc/60/41/51/345604151.db2.gz QNAAFUACNLNKMJ-VHSXEESVSA-N 0 3 183.295 2.084 10 30 AEEEHN C[C@H]1CC[C@H](C)N(C(C)(C)C=O)C1 306770349 345604213 /nfs/dbraw/zinc/60/42/13/345604213.db2.gz QNAAFUACNLNKMJ-UWVGGRQHSA-N 0 3 183.295 2.084 10 30 AEEEHN C[C@H]1CC[C@@H](C)CN1C(C)(C)C=O 306770356 345604296 /nfs/dbraw/zinc/60/42/96/345604296.db2.gz QNAAFUACNLNKMJ-ZJUUUORDSA-N 0 3 183.295 2.084 10 30 AEEEHN C=C(C)C[C@H]([NH3+])c1ccccc1[O-] 306785170 345612604 /nfs/dbraw/zinc/61/26/04/345612604.db2.gz TUEHOFUCSHMCCB-JTQLQIEISA-N 0 3 177.247 2.358 10 30 AEEEHN C=C(C)C[C@@H]([NH3+])c1ccccc1[O-] 306785171 345612747 /nfs/dbraw/zinc/61/27/47/345612747.db2.gz TUEHOFUCSHMCCB-SNVBAGLBSA-N 0 3 177.247 2.358 10 30 AEEEHN CCC#C[C@H](C)N1C[C@H](C)[C@@H]1C 306790903 345616795 /nfs/dbraw/zinc/61/67/95/345616795.db2.gz WKXCXEPWHJKETJ-DCAQKATOSA-N 0 3 165.280 2.129 10 30 AEEEHN CCC#C[C@H](C)N1C[C@@H](C)[C@@H]1C 306790911 345616848 /nfs/dbraw/zinc/61/68/48/345616848.db2.gz WKXCXEPWHJKETJ-VWYCJHECSA-N 0 3 165.280 2.129 10 30 AEEEHN CCC#C[C@H](C)N1C[C@@H](C)[C@H]1C 306790908 345616890 /nfs/dbraw/zinc/61/68/90/345616890.db2.gz WKXCXEPWHJKETJ-OUAUKWLOSA-N 0 3 165.280 2.129 10 30 AEEEHN CCC#C[C@H](C)N1C[C@H](C)[C@H]1C 306790905 345616910 /nfs/dbraw/zinc/61/69/10/345616910.db2.gz WKXCXEPWHJKETJ-GARJFASQSA-N 0 3 165.280 2.129 10 30 AEEEHN C[C@@H]1CCCN(C(C)(C)C=O)CC1 306833995 345646474 /nfs/dbraw/zinc/64/64/74/345646474.db2.gz QLLQGFJYPLSZRM-SNVBAGLBSA-N 0 3 183.295 2.086 10 30 AEEEHN C[C@H]1CCCN(C(C)(C)C=O)CC1 306833994 345646487 /nfs/dbraw/zinc/64/64/87/345646487.db2.gz QLLQGFJYPLSZRM-JTQLQIEISA-N 0 3 183.295 2.086 10 30 AEEEHN CC(C)[C@H](C#N)CN1C[C@@H](C)[C@H](C)C1 306840676 345650208 /nfs/dbraw/zinc/65/02/08/345650208.db2.gz ARTMZYPUTSTGJI-IJLUTSLNSA-N 0 3 194.322 2.370 10 30 AEEEHN CC(C)[C@H](C#N)CN1C[C@@H](C)[C@@H](C)C1 306840672 345650217 /nfs/dbraw/zinc/65/02/17/345650217.db2.gz ARTMZYPUTSTGJI-GRYCIOLGSA-N 0 3 194.322 2.370 10 30 AEEEHN CC(C)[C@H](C#N)CN1C[C@H](C)[C@@H](C)C1 306840679 345650248 /nfs/dbraw/zinc/65/02/48/345650248.db2.gz ARTMZYPUTSTGJI-SDDRHHMPSA-N 0 3 194.322 2.370 10 30 AEEEHN C#C[C@@H](NC)c1cccc(F)c1C 306840827 345650327 /nfs/dbraw/zinc/65/03/27/345650327.db2.gz BEAXUBMSGPYLAW-LLVKDONJSA-N 0 3 177.222 2.028 10 30 AEEEHN C#C[C@H](NC)c1cccc(F)c1C 306840833 345650420 /nfs/dbraw/zinc/65/04/20/345650420.db2.gz BEAXUBMSGPYLAW-NSHDSACASA-N 0 3 177.222 2.028 10 30 AEEEHN CC(C)[C@@H](C#N)CN1C[C@@H](C)[C@@H](C)C1 306840685 345650568 /nfs/dbraw/zinc/65/05/68/345650568.db2.gz ARTMZYPUTSTGJI-TUAOUCFPSA-N 0 3 194.322 2.370 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@@H]2C=C[C@H]1C2 306851254 345657294 /nfs/dbraw/zinc/65/72/94/345657294.db2.gz QHFSPBUTDYJLFN-KXUCPTDWSA-N 0 3 183.682 2.293 10 30 AEEEHN C=C(Cl)CN[C@H]1C[C@@H]2C=C[C@H]1C2 306851255 345657446 /nfs/dbraw/zinc/65/74/46/345657446.db2.gz QHFSPBUTDYJLFN-UTLUCORTSA-N 0 3 183.682 2.293 10 30 AEEEHN N#C[C@]1(C2CCCC2)CCCNC1 306862121 345665056 /nfs/dbraw/zinc/66/50/56/345665056.db2.gz GVMGZQNFWRQOQC-LLVKDONJSA-N 0 3 178.279 2.070 10 30 AEEEHN N#C[C@@]1(C2CCCC2)CCCNC1 306862122 345665196 /nfs/dbraw/zinc/66/51/96/345665196.db2.gz GVMGZQNFWRQOQC-NSHDSACASA-N 0 3 178.279 2.070 10 30 AEEEHN C=C(C)C[C@@H]([NH3+])c1ccc(O)cc1[O-] 306877371 345674432 /nfs/dbraw/zinc/67/44/32/345674432.db2.gz DPBQDJAXTPHDHL-SNVBAGLBSA-N 0 3 193.246 2.064 10 30 AEEEHN CNCC#Cc1cc(C)c(F)cc1C 306879298 345676332 /nfs/dbraw/zinc/67/63/32/345676332.db2.gz JMAOYGIVRQIBEC-UHFFFAOYSA-N 0 3 191.249 2.013 10 30 AEEEHN C=C(C)CCNc1cccc(N)n1 306881022 345677486 /nfs/dbraw/zinc/67/74/86/345677486.db2.gz LLDPLYUFMGYQGI-UHFFFAOYSA-N 0 3 177.251 2.042 10 30 AEEEHN C=C(C)[C@@]1(F)CC[C@H](C)NC1 306909840 345694855 /nfs/dbraw/zinc/69/48/55/345694855.db2.gz PCTWNHKDJJLEPO-DTWKUNHWSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)[C@]1(F)CC[C@H](C)NC1 306909842 345694915 /nfs/dbraw/zinc/69/49/15/345694915.db2.gz PCTWNHKDJJLEPO-IUCAKERBSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)[C@]1(F)CC[C@@H](C)NC1 306909837 345695091 /nfs/dbraw/zinc/69/50/91/345695091.db2.gz PCTWNHKDJJLEPO-BDAKNGLRSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)C[C@@H]([NH3+])c1ccc([O-])cc1F 306919030 345698439 /nfs/dbraw/zinc/69/84/39/345698439.db2.gz JPOQTCGWSKTPLD-LLVKDONJSA-N 0 3 195.237 2.497 10 30 AEEEHN C=C(C)C[C@H]([NH3+])c1ccc([O-])cc1F 306919031 345698493 /nfs/dbraw/zinc/69/84/93/345698493.db2.gz JPOQTCGWSKTPLD-NSHDSACASA-N 0 3 195.237 2.497 10 30 AEEEHN C#CC[C@@H](N)c1csc(C)c1C 306935667 345707396 /nfs/dbraw/zinc/70/73/96/345707396.db2.gz HKRQXCILTGQJGH-SNVBAGLBSA-N 0 3 179.288 2.388 10 30 AEEEHN C#CC[C@H](N)c1csc(C)c1C 306935666 345707417 /nfs/dbraw/zinc/70/74/17/345707417.db2.gz HKRQXCILTGQJGH-JTQLQIEISA-N 0 3 179.288 2.388 10 30 AEEEHN CC1(C)CCCN(C(C)(C)C=O)C1 306948816 345713965 /nfs/dbraw/zinc/71/39/65/345713965.db2.gz AGHOCEHFCQPOSM-UHFFFAOYSA-N 0 3 183.295 2.086 10 30 AEEEHN C=C[C@H](N)c1ccc2c(n1)CCCC2 306966324 345724019 /nfs/dbraw/zinc/72/40/19/345724019.db2.gz LFUHSWKJWXBRDQ-JTQLQIEISA-N 0 3 188.274 2.146 10 30 AEEEHN C=C[C@@H](N)c1ccc2c(n1)CCCC2 306966325 345724062 /nfs/dbraw/zinc/72/40/62/345724062.db2.gz LFUHSWKJWXBRDQ-SNVBAGLBSA-N 0 3 188.274 2.146 10 30 AEEEHN C#CCN1CCC(C)(C(C)C)CC1 306976379 345729437 /nfs/dbraw/zinc/72/94/37/345729437.db2.gz AJHRBJSVDQMJDN-UHFFFAOYSA-N 0 3 179.307 2.378 10 30 AEEEHN CC#CC[C@H](N)c1csc(C)c1 306997159 345741657 /nfs/dbraw/zinc/74/16/57/345741657.db2.gz VGLFTRLIWABLMW-JTQLQIEISA-N 0 3 179.288 2.470 10 30 AEEEHN CC#CC[C@@H](N)c1csc(C)c1 306997160 345741723 /nfs/dbraw/zinc/74/17/23/345741723.db2.gz VGLFTRLIWABLMW-SNVBAGLBSA-N 0 3 179.288 2.470 10 30 AEEEHN C#C[C@@](C)(CC)Nc1ccncc1 307000173 345743274 /nfs/dbraw/zinc/74/32/74/345743274.db2.gz BPZWGIXWQZFWGV-NSHDSACASA-N 0 3 174.247 2.295 10 30 AEEEHN C#C[C@](C)(CC)Nc1ccncc1 307000171 345743315 /nfs/dbraw/zinc/74/33/15/345743315.db2.gz BPZWGIXWQZFWGV-LLVKDONJSA-N 0 3 174.247 2.295 10 30 AEEEHN CC(C)c1ccccc1C#CCN 307000712 345743937 /nfs/dbraw/zinc/74/39/37/345743937.db2.gz BGOYXVSJKMDNKQ-UHFFFAOYSA-N 0 3 173.259 2.120 10 30 AEEEHN C[C@@H]1CCCN(C(C)(C)C=O)[C@@H]1C 307012029 345751613 /nfs/dbraw/zinc/75/16/13/345751613.db2.gz POEUOSDPDGUZFJ-NXEZZACHSA-N 0 3 183.295 2.084 10 30 AEEEHN C[C@H]1CCCN(C(C)(C)C=O)[C@@H]1C 307012031 345751679 /nfs/dbraw/zinc/75/16/79/345751679.db2.gz POEUOSDPDGUZFJ-VHSXEESVSA-N 0 3 183.295 2.084 10 30 AEEEHN C[C@H]1CCCN(C(C)(C)C=O)[C@H]1C 307012030 345751781 /nfs/dbraw/zinc/75/17/81/345751781.db2.gz POEUOSDPDGUZFJ-UWVGGRQHSA-N 0 3 183.295 2.084 10 30 AEEEHN C[C@H]1[C@H](C)CCCN1C(C)(C)C=O 307012032 345751821 /nfs/dbraw/zinc/75/18/21/345751821.db2.gz POEUOSDPDGUZFJ-ZJUUUORDSA-N 0 3 183.295 2.084 10 30 AEEEHN C#Cc1cc(C)ccc1CNC1CC1 307029354 345765157 /nfs/dbraw/zinc/76/51/57/345765157.db2.gz OBLCCIJZZFNLFT-UHFFFAOYSA-N 0 3 185.270 2.228 10 30 AEEEHN C=CC[C@@H](N)c1cc(C)ns1 307030905 345766139 /nfs/dbraw/zinc/76/61/39/345766139.db2.gz QAOGYXZAGMJZMY-SSDOTTSWSA-N 0 3 168.265 2.027 10 30 AEEEHN C=CC[C@H](N)c1cc(C)ns1 307030906 345766377 /nfs/dbraw/zinc/76/63/77/345766377.db2.gz QAOGYXZAGMJZMY-ZETCQYMHSA-N 0 3 168.265 2.027 10 30 AEEEHN C=CC[C@@H](N)c1sccc1F 307065431 345788886 /nfs/dbraw/zinc/78/88/86/345788886.db2.gz RCAIXTPXOQWYTN-SSDOTTSWSA-N 0 3 171.240 2.463 10 30 AEEEHN C=CC[C@H](N)c1sccc1F 307065433 345789195 /nfs/dbraw/zinc/78/91/95/345789195.db2.gz RCAIXTPXOQWYTN-ZETCQYMHSA-N 0 3 171.240 2.463 10 30 AEEEHN CNCC#Cc1c(F)cccc1Cl 307094886 345806937 /nfs/dbraw/zinc/80/69/37/345806937.db2.gz CFVGNUHUSQGFDY-UHFFFAOYSA-N 0 3 197.640 2.050 10 30 AEEEHN C[C@H](N)C#Cc1c(F)cccc1Cl 307101714 345810044 /nfs/dbraw/zinc/81/00/44/345810044.db2.gz AOFFVYQPRHUKJU-ZETCQYMHSA-N 0 3 197.640 2.178 10 30 AEEEHN C[C@@H](N)C#Cc1c(F)cccc1Cl 307101713 345810146 /nfs/dbraw/zinc/81/01/46/345810146.db2.gz AOFFVYQPRHUKJU-SSDOTTSWSA-N 0 3 197.640 2.178 10 30 AEEEHN CC[C@H](C#Cc1ccccc1)NC 307114440 345817947 /nfs/dbraw/zinc/81/79/47/345817947.db2.gz TWZYZOAHBVXDHU-GFCCVEGCSA-N 0 3 173.259 2.036 10 30 AEEEHN CC[C@@H](C#Cc1ccccc1)NC 307114441 345818162 /nfs/dbraw/zinc/81/81/62/345818162.db2.gz TWZYZOAHBVXDHU-LBPRGKRZSA-N 0 3 173.259 2.036 10 30 AEEEHN C=C(C)[C@]1(F)CCCN[C@@H]1C 307158621 345850151 /nfs/dbraw/zinc/85/01/51/345850151.db2.gz BGSYVMHSHVELCJ-RKDXNWHRSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)[C@@]1(F)CCCN[C@H]1C 307158620 345850168 /nfs/dbraw/zinc/85/01/68/345850168.db2.gz BGSYVMHSHVELCJ-IUCAKERBSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)[C@@]1(F)CCCN[C@@H]1C 307158618 345850309 /nfs/dbraw/zinc/85/03/09/345850309.db2.gz BGSYVMHSHVELCJ-BDAKNGLRSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)[C@]1(F)CCCN[C@H]1C 307158619 345850561 /nfs/dbraw/zinc/85/05/61/345850561.db2.gz BGSYVMHSHVELCJ-DTWKUNHWSA-N 0 3 157.232 2.043 10 30 AEEEHN C=C(C)C[C@H]([NH3+])c1ccc(O)cc1[O-] 307160261 345852814 /nfs/dbraw/zinc/85/28/14/345852814.db2.gz DPBQDJAXTPHDHL-JTQLQIEISA-N 0 3 193.246 2.064 10 30 AEEEHN CC#CC[C@H](N)c1sccc1F 307167420 345859606 /nfs/dbraw/zinc/85/96/06/345859606.db2.gz RNYDEYGHFJWZLJ-QMMMGPOBSA-N 0 3 183.251 2.300 10 30 AEEEHN CC#CC[C@@H](N)c1sccc1F 307167419 345859642 /nfs/dbraw/zinc/85/96/42/345859642.db2.gz RNYDEYGHFJWZLJ-MRVPVSSYSA-N 0 3 183.251 2.300 10 30 AEEEHN C=C(Cl)CN[C@H]1C[C@@H]2C[C@@H]2C1 307173045 345864722 /nfs/dbraw/zinc/86/47/22/345864722.db2.gz OBVVZXGIPJFSKR-AYMMMOKOSA-N 0 3 171.671 2.127 10 30 AEEEHN C[C@H]1CCCN1C[C@H](C#N)C1CCC1 307193292 345879184 /nfs/dbraw/zinc/87/91/84/345879184.db2.gz FQIYZUNFVNNBAL-JQWIXIFHSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@H]1CCCN1C[C@@H](C#N)C1CCC1 307193291 345879382 /nfs/dbraw/zinc/87/93/82/345879382.db2.gz FQIYZUNFVNNBAL-CMPLNLGQSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H]1CCCN1C[C@H](C#N)C1CCC1 307193293 345879415 /nfs/dbraw/zinc/87/94/15/345879415.db2.gz FQIYZUNFVNNBAL-PWSUYJOCSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H]1CCCN1C[C@@H](C#N)C1CCC1 307193295 345879442 /nfs/dbraw/zinc/87/94/42/345879442.db2.gz FQIYZUNFVNNBAL-ZYHUDNBSSA-N 0 3 192.306 2.411 10 30 AEEEHN CC#CCN[C@H]1CC12CCCCC2 307204537 345888317 /nfs/dbraw/zinc/88/83/17/345888317.db2.gz GOPHHSHHZYXGIS-NSHDSACASA-N 0 3 177.291 2.322 10 30 AEEEHN C=CC[C@@H](N)c1cocc1C 307272738 345939033 /nfs/dbraw/zinc/93/90/33/345939033.db2.gz NZYDBIUOOSGPTD-SECBINFHSA-N 0 3 151.209 2.164 10 30 AEEEHN CC#CCN[C@H]1CCc2ccsc21 307226186 345904014 /nfs/dbraw/zinc/90/40/14/345904014.db2.gz VHBSPLUHOPDBOA-JTQLQIEISA-N 0 3 191.299 2.348 10 30 AEEEHN CC#CCN[C@@H]1CCc2ccsc21 307226187 345904276 /nfs/dbraw/zinc/90/42/76/345904276.db2.gz VHBSPLUHOPDBOA-SNVBAGLBSA-N 0 3 191.299 2.348 10 30 AEEEHN CCCc1ccccc1C#C[C@H](C)N 307232721 345909826 /nfs/dbraw/zinc/90/98/26/345909826.db2.gz DPSHLBKXIDKQGF-NSHDSACASA-N 0 3 187.286 2.338 10 30 AEEEHN C[C@H]1CCN(C(C)(C)C=O)[C@H](C)C1 307244473 345918134 /nfs/dbraw/zinc/91/81/34/345918134.db2.gz USFYOHROZHSMDA-VHSXEESVSA-N 0 3 183.295 2.084 10 30 AEEEHN C[C@H]1C[C@H](C)CCN1C(C)(C)C=O 307244476 345918157 /nfs/dbraw/zinc/91/81/57/345918157.db2.gz USFYOHROZHSMDA-ZJUUUORDSA-N 0 3 183.295 2.084 10 30 AEEEHN C[C@H]1CCN(C(C)(C)C=O)[C@@H](C)C1 307244471 345918166 /nfs/dbraw/zinc/91/81/66/345918166.db2.gz USFYOHROZHSMDA-UWVGGRQHSA-N 0 3 183.295 2.084 10 30 AEEEHN CC[C@@](C)(N)C#Cc1cccs1 307246096 345919117 /nfs/dbraw/zinc/91/91/17/345919117.db2.gz XFLGBMKGCYKEIA-SNVBAGLBSA-N 0 3 179.288 2.227 10 30 AEEEHN CC[C@](C)(N)C#Cc1cccs1 307246095 345919321 /nfs/dbraw/zinc/91/93/21/345919321.db2.gz XFLGBMKGCYKEIA-JTQLQIEISA-N 0 3 179.288 2.227 10 30 AEEEHN CNCC#Cc1cc(C)ccc1Cl 307250152 345922361 /nfs/dbraw/zinc/92/23/61/345922361.db2.gz LEGRAKCYYFWDPS-UHFFFAOYSA-N 0 3 193.677 2.219 10 30 AEEEHN C=C(C)C[C@H](N)c1cccnc1F 307263552 345933116 /nfs/dbraw/zinc/93/31/16/345933116.db2.gz VMSIAFOBRWVIKR-VIFPVBQESA-N 0 3 180.226 2.187 10 30 AEEEHN C#Cc1ccc(CNC)c(Cl)c1 307264864 345934434 /nfs/dbraw/zinc/93/44/34/345934434.db2.gz CXNLRILKKQBKKB-UHFFFAOYSA-N 0 3 179.650 2.041 10 30 AEEEHN Cc1ccc(Cl)c(C#C[C@H](C)N)c1 307280942 345944801 /nfs/dbraw/zinc/94/48/01/345944801.db2.gz GGYMGSCEXPWDBP-VIFPVBQESA-N 0 3 193.677 2.347 10 30 AEEEHN Cc1ccc(Cl)c(C#C[C@@H](C)N)c1 307280931 345944961 /nfs/dbraw/zinc/94/49/61/345944961.db2.gz GGYMGSCEXPWDBP-SECBINFHSA-N 0 3 193.677 2.347 10 30 AEEEHN C#CCC[C@@H](N)c1cc(C)cc(C)n1 307281740 345945476 /nfs/dbraw/zinc/94/54/76/345945476.db2.gz GOBJFSINOYZVLB-LLVKDONJSA-N 0 3 188.274 2.112 10 30 AEEEHN C#CCC[C@H](N)c1cc(C)cc(C)n1 307281741 345945572 /nfs/dbraw/zinc/94/55/72/345945572.db2.gz GOBJFSINOYZVLB-NSHDSACASA-N 0 3 188.274 2.112 10 30 AEEEHN CCC[C@H](N)C#Cc1cocc1C 307291605 345950782 /nfs/dbraw/zinc/95/07/82/345950782.db2.gz BVUZUQOEQLIPAN-NSHDSACASA-N 0 3 177.247 2.067 10 30 AEEEHN CCC[C@@H](N)C#Cc1cocc1C 307291604 345950847 /nfs/dbraw/zinc/95/08/47/345950847.db2.gz BVUZUQOEQLIPAN-LLVKDONJSA-N 0 3 177.247 2.067 10 30 AEEEHN C#C[C@H](C)NC[C@@H]1CCCC1(F)F 307304547 345958224 /nfs/dbraw/zinc/95/82/24/345958224.db2.gz CFCAVGAKGHHGIU-IUCAKERBSA-N 0 3 187.233 2.033 10 30 AEEEHN C#C[C@@H](C)NC[C@H]1CCCC1(F)F 307304549 345958266 /nfs/dbraw/zinc/95/82/66/345958266.db2.gz CFCAVGAKGHHGIU-RKDXNWHRSA-N 0 3 187.233 2.033 10 30 AEEEHN C#C[C@H](C)NC[C@H]1CCCC1(F)F 307304546 345958302 /nfs/dbraw/zinc/95/83/02/345958302.db2.gz CFCAVGAKGHHGIU-DTWKUNHWSA-N 0 3 187.233 2.033 10 30 AEEEHN C#C[C@@H](C)NC[C@@H]1CCCC1(F)F 307304544 345958343 /nfs/dbraw/zinc/95/83/43/345958343.db2.gz CFCAVGAKGHHGIU-BDAKNGLRSA-N 0 3 187.233 2.033 10 30 AEEEHN CC(C)(N)C#Cc1ccsc1Cl 307317212 345967229 /nfs/dbraw/zinc/96/72/29/345967229.db2.gz OHAVXMQESSXCPH-UHFFFAOYSA-N 0 3 199.706 2.490 10 30 AEEEHN CC(C)(C=O)N1CCCCCCC1 307363966 345996248 /nfs/dbraw/zinc/99/62/48/345996248.db2.gz IAUCFMNCNSEALR-UHFFFAOYSA-N 0 3 183.295 2.230 10 30 AEEEHN C#CC[C@@H](NC)c1csc(C)c1 307398684 346017353 /nfs/dbraw/zinc/01/73/53/346017353.db2.gz UPHQZTUMGABASL-SNVBAGLBSA-N 0 3 179.288 2.340 10 30 AEEEHN C#CC[C@H](NC)c1csc(C)c1 307398683 346017443 /nfs/dbraw/zinc/01/74/43/346017443.db2.gz UPHQZTUMGABASL-JTQLQIEISA-N 0 3 179.288 2.340 10 30 AEEEHN C=C(C)C[C@H](N)c1cc(O)cc(O)c1 307413680 346028072 /nfs/dbraw/zinc/02/80/72/346028072.db2.gz LRVZGIWRGFSHNJ-NSHDSACASA-N 0 3 193.246 2.064 10 30 AEEEHN C=C(C)C[C@@H](N)c1cc(O)cc(O)c1 307413676 346028181 /nfs/dbraw/zinc/02/81/81/346028181.db2.gz LRVZGIWRGFSHNJ-LLVKDONJSA-N 0 3 193.246 2.064 10 30 AEEEHN C[C@H](N)C#Cc1ccsc1Cl 307414151 346028503 /nfs/dbraw/zinc/02/85/03/346028503.db2.gz VURLQPIINBJGNR-LURJTMIESA-N 0 3 185.679 2.100 10 30 AEEEHN C[C@@H](N)C#Cc1ccsc1Cl 307414152 346028556 /nfs/dbraw/zinc/02/85/56/346028556.db2.gz VURLQPIINBJGNR-ZCFIWIBFSA-N 0 3 185.679 2.100 10 30 AEEEHN CC1(C)CN(CC2(C=O)CCCC2)C1 307427246 346034684 /nfs/dbraw/zinc/03/46/84/346034684.db2.gz RHFDFLARUTUVBF-UHFFFAOYSA-N 0 3 195.306 2.088 10 30 AEEEHN C#Cc1ccc(CNC2CC2)cc1F 307440397 346041300 /nfs/dbraw/zinc/04/13/00/346041300.db2.gz YGCCYCNLDRMPBR-UHFFFAOYSA-N 0 3 189.233 2.059 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2C[C@H]21 307475678 346063185 /nfs/dbraw/zinc/06/31/85/346063185.db2.gz BRARZQRMXIIOCM-HHHUOAJASA-N 0 3 190.290 2.067 10 30 AEEEHN C#CC[C@H](N)c1csc(C)c1 307487733 346069787 /nfs/dbraw/zinc/06/97/87/346069787.db2.gz OANRVSYGYXDISJ-VIFPVBQESA-N 0 3 165.261 2.080 10 30 AEEEHN C[C@@H]1CCC[C@H]1N(C)[C@H](C)CC#N 307502595 346077699 /nfs/dbraw/zinc/07/76/99/346077699.db2.gz JFTBOHBQUKQLFD-GMTAPVOTSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H]1CCC[C@@H]1N(C)[C@H](C)CC#N 307502887 346078410 /nfs/dbraw/zinc/07/84/10/346078410.db2.gz JFTBOHBQUKQLFD-MXWKQRLJSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H](CC#N)N(C)[C@@H]1CCC[C@H]1C 307502894 346078416 /nfs/dbraw/zinc/07/84/16/346078416.db2.gz JFTBOHBQUKQLFD-OUAUKWLOSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H](CC#N)N(C)[C@H]1CCC[C@H]1C 307502896 346078445 /nfs/dbraw/zinc/07/84/45/346078445.db2.gz JFTBOHBQUKQLFD-VWYCJHECSA-N 0 3 180.295 2.409 10 30 AEEEHN C=C(Cl)CN[C@H]1CC[C@@H]2C[C@H]12 307509751 346081769 /nfs/dbraw/zinc/08/17/69/346081769.db2.gz BMGCGVLFVPXQPC-VGMNWLOBSA-N 0 3 171.671 2.127 10 30 AEEEHN CC(C)[C@@H](C)[C@@]1(C#N)CCCNC1 307530092 346094345 /nfs/dbraw/zinc/09/43/45/346094345.db2.gz MYZWHVPETVPZFM-GHMZBOCLSA-N 0 3 180.295 2.172 10 30 AEEEHN CC(C)[C@H](C)[C@]1(C#N)CCCNC1 307530094 346094372 /nfs/dbraw/zinc/09/43/72/346094372.db2.gz MYZWHVPETVPZFM-QWRGUYRKSA-N 0 3 180.295 2.172 10 30 AEEEHN CC(C)[C@@H](C)[C@]1(C#N)CCCNC1 307530093 346094404 /nfs/dbraw/zinc/09/44/04/346094404.db2.gz MYZWHVPETVPZFM-MNOVXSKESA-N 0 3 180.295 2.172 10 30 AEEEHN CC(C)[C@H](C)[C@@]1(C#N)CCCNC1 307530095 346094472 /nfs/dbraw/zinc/09/44/72/346094472.db2.gz MYZWHVPETVPZFM-WDEREUQCSA-N 0 3 180.295 2.172 10 30 AEEEHN C=C(C)[C@H](N)c1ccc(C)c(C)n1 307556039 346110453 /nfs/dbraw/zinc/11/04/53/346110453.db2.gz YQNXVKXAEPDDSQ-NSHDSACASA-N 0 3 176.263 2.274 10 30 AEEEHN C=C(C)[C@@H](N)c1ccc(C)c(C)n1 307556038 346110720 /nfs/dbraw/zinc/11/07/20/346110720.db2.gz YQNXVKXAEPDDSQ-LLVKDONJSA-N 0 3 176.263 2.274 10 30 AEEEHN Cc1c(Cl)ccc(C#CCN)c1F 307566723 346116598 /nfs/dbraw/zinc/11/65/98/346116598.db2.gz DCWQHZFXTHYICB-UHFFFAOYSA-N 0 3 197.640 2.098 10 30 AEEEHN C[C@@H]1CC[C@@H]1N[C@@H]1CCC[C@H]1C#N 307587807 346131339 /nfs/dbraw/zinc/13/13/39/346131339.db2.gz VIDRLFCMLZLDJZ-VPOLOUISSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1CC[C@@H]1N[C@@H]1CCC[C@@H]1C#N 307587805 346131458 /nfs/dbraw/zinc/13/14/58/346131458.db2.gz VIDRLFCMLZLDJZ-CHWFTXMASA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1CC[C@@H]1N[C@H]1CCC[C@@H]1C#N 307587808 346131475 /nfs/dbraw/zinc/13/14/75/346131475.db2.gz VIDRLFCMLZLDJZ-ZNSHCXBVSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1CC[C@@H]1N[C@H]1CCC[C@H]1C#N 307587806 346131541 /nfs/dbraw/zinc/13/15/41/346131541.db2.gz VIDRLFCMLZLDJZ-RCWTZXSCSA-N 0 3 178.279 2.067 10 30 AEEEHN C#CC[C@@H](N)c1csc(Cl)c1 307598385 346137889 /nfs/dbraw/zinc/13/78/89/346137889.db2.gz PELPPGDKJZASHJ-SSDOTTSWSA-N 0 3 185.679 2.425 10 30 AEEEHN C#CC[C@H](N)c1csc(Cl)c1 307598386 346138160 /nfs/dbraw/zinc/13/81/60/346138160.db2.gz PELPPGDKJZASHJ-ZETCQYMHSA-N 0 3 185.679 2.425 10 30 AEEEHN CC#CC[C@@H](N)c1cc(C)cs1 307606448 346143005 /nfs/dbraw/zinc/14/30/05/346143005.db2.gz AFUJIKCBAWVOPF-SECBINFHSA-N 0 3 179.288 2.470 10 30 AEEEHN CC#CC[C@H](N)c1cc(C)cs1 307606452 346143120 /nfs/dbraw/zinc/14/31/20/346143120.db2.gz AFUJIKCBAWVOPF-VIFPVBQESA-N 0 3 179.288 2.470 10 30 AEEEHN C=CCN1CC(C)(C)OCC1(C)C 307609785 346144961 /nfs/dbraw/zinc/14/49/61/346144961.db2.gz FEZCEHSDIMYLSV-UHFFFAOYSA-N 0 3 183.295 2.062 10 30 AEEEHN CC(C)N(C)Cc1cc(C#N)cs1 307619322 346151435 /nfs/dbraw/zinc/15/14/35/346151435.db2.gz XCVBCDCQJXHCSE-UHFFFAOYSA-N 0 3 194.303 2.460 10 30 AEEEHN CC[C@H](N)C#Cc1ccsc1Cl 307658426 346169464 /nfs/dbraw/zinc/16/94/64/346169464.db2.gz SARUABNHYQXHBA-QMMMGPOBSA-N 0 3 199.706 2.490 10 30 AEEEHN CC[C@@H](N)C#Cc1ccsc1Cl 307658425 346169474 /nfs/dbraw/zinc/16/94/74/346169474.db2.gz SARUABNHYQXHBA-MRVPVSSYSA-N 0 3 199.706 2.490 10 30 AEEEHN C[C@@H]1[C@@H](NCC(C)(C)C#N)C[C@H]1C 307665586 346172163 /nfs/dbraw/zinc/17/21/63/346172163.db2.gz AYXXDDMQMGIUHS-UTLUCORTSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@@H]1C[C@H](NCC(C)(C)C#N)[C@@H]1C 307665582 346172284 /nfs/dbraw/zinc/17/22/84/346172284.db2.gz AYXXDDMQMGIUHS-BBBLOLIVSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@H]1[C@H](C)C[C@H]1NCC(C)(C)C#N 307665583 346172408 /nfs/dbraw/zinc/17/24/08/346172408.db2.gz AYXXDDMQMGIUHS-KXUCPTDWSA-N 0 3 180.295 2.170 10 30 AEEEHN C=C(C)[C@@H](N)c1cc(C)cc(C)n1 307668602 346173236 /nfs/dbraw/zinc/17/32/36/346173236.db2.gz QLERRCLJKMAKIK-LLVKDONJSA-N 0 3 176.263 2.274 10 30 AEEEHN C=C(C)[C@H](N)c1cc(C)cc(C)n1 307668603 346173515 /nfs/dbraw/zinc/17/35/15/346173515.db2.gz QLERRCLJKMAKIK-NSHDSACASA-N 0 3 176.263 2.274 10 30 AEEEHN C#Cc1ccc(F)c(CNC2CC2)c1 307671711 346174755 /nfs/dbraw/zinc/17/47/55/346174755.db2.gz USFHWHVBBLOHBV-UHFFFAOYSA-N 0 3 189.233 2.059 10 30 AEEEHN C#C[C@@H](NC)c1csc(C)c1C 307676091 346177441 /nfs/dbraw/zinc/17/74/41/346177441.db2.gz HINUNKGDLWYROA-SNVBAGLBSA-N 0 3 179.288 2.259 10 30 AEEEHN N#C[C@]1(C/C=C/Cl)CCCNC1 307685883 346183024 /nfs/dbraw/zinc/18/30/24/346183024.db2.gz AHJQOXPKYNIMOX-ZGQKAHPSSA-N 0 3 184.670 2.022 10 30 AEEEHN N#C[C@@]1(C/C=C/Cl)CCCNC1 307685876 346183100 /nfs/dbraw/zinc/18/31/00/346183100.db2.gz AHJQOXPKYNIMOX-VBOWQXIBSA-N 0 3 184.670 2.022 10 30 AEEEHN CC(C)(C#N)CCN1CC(C)(C)C1 307703491 346193533 /nfs/dbraw/zinc/19/35/33/346193533.db2.gz RPFFBHWWPJLOPR-UHFFFAOYSA-N 0 3 180.295 2.268 10 30 AEEEHN C=CCN1CCS[C@@H](C(C)C)C1 307707621 346195322 /nfs/dbraw/zinc/19/53/22/346195322.db2.gz HPAHGWMHKYSPAK-SNVBAGLBSA-N 0 3 185.336 2.246 10 30 AEEEHN C=CCN1CCS[C@H](C(C)C)C1 307707620 346195371 /nfs/dbraw/zinc/19/53/71/346195371.db2.gz HPAHGWMHKYSPAK-JTQLQIEISA-N 0 3 185.336 2.246 10 30 AEEEHN CNCc1ccc(F)c(C#N)c1Cl 307749946 346219478 /nfs/dbraw/zinc/21/94/78/346219478.db2.gz ILOKIQFGDCUKPB-UHFFFAOYSA-N 0 3 198.628 2.070 10 30 AEEEHN C=CCCNC/C(Cl)=C/Cl 307805484 346229153 /nfs/dbraw/zinc/22/91/53/346229153.db2.gz GAPAFOYQLJIWGM-ALCCZGGFSA-N 0 3 180.078 2.471 10 30 AEEEHN C=CCN(CC=C)CCSC 307904021 346233783 /nfs/dbraw/zinc/23/37/83/346233783.db2.gz QBTVZQIMQAHJEL-UHFFFAOYSA-N 0 3 171.309 2.023 10 30 AEEEHN C=CCN(CCSCC)C1CC1 307972571 346245059 /nfs/dbraw/zinc/24/50/59/346245059.db2.gz IEEOJSSSVZSECV-UHFFFAOYSA-N 0 3 185.336 2.390 10 30 AEEEHN C#CCN[C@@H]1C=CCCCCC1 307976366 346245814 /nfs/dbraw/zinc/24/58/14/346245814.db2.gz IGPFHOKXXJKEAE-LLVKDONJSA-N 0 3 163.264 2.098 10 30 AEEEHN C#CCN[C@H]1C=CCCCCC1 307976367 346245915 /nfs/dbraw/zinc/24/59/15/346245915.db2.gz IGPFHOKXXJKEAE-NSHDSACASA-N 0 3 163.264 2.098 10 30 AEEEHN CC[C@@H](C)N(C)CC(C)(C)C#N 308070022 346253359 /nfs/dbraw/zinc/25/33/59/346253359.db2.gz AYHXEKGNWFEYQU-SECBINFHSA-N 0 3 168.284 2.266 10 30 AEEEHN CC[C@H](C)N(C)CC(C)(C)C#N 308070024 346253592 /nfs/dbraw/zinc/25/35/92/346253592.db2.gz AYHXEKGNWFEYQU-VIFPVBQESA-N 0 3 168.284 2.266 10 30 AEEEHN C/C=C\CN1CCC(C)(C#N)CC1 308123187 346257589 /nfs/dbraw/zinc/25/75/89/346257589.db2.gz RLYCJNIRYYNJRP-ARJAWSKDSA-N 0 3 178.279 2.188 10 30 AEEEHN C=CCN1CCC(OC(C)C)CC1 308133542 346258948 /nfs/dbraw/zinc/25/89/48/346258948.db2.gz CQZISZAXYSZWNL-UHFFFAOYSA-N 0 3 183.295 2.062 10 30 AEEEHN C#C[C@@H](C)N[C@H]1C=CCCCCC1 308151931 346262447 /nfs/dbraw/zinc/26/24/47/346262447.db2.gz JWJRCDUWBOMIIC-NEPJUHHUSA-N 0 3 177.291 2.487 10 30 AEEEHN CC#CCN[C@H]1C=CCCCCC1 308152591 346262370 /nfs/dbraw/zinc/26/23/70/346262370.db2.gz LKFNSCMXSKGVLB-LBPRGKRZSA-N 0 3 177.291 2.488 10 30 AEEEHN CC#CCN[C@@H]1C=CCCCCC1 308152589 346262440 /nfs/dbraw/zinc/26/24/40/346262440.db2.gz LKFNSCMXSKGVLB-GFCCVEGCSA-N 0 3 177.291 2.488 10 30 AEEEHN C#C[C@H](C)N[C@@H]1C=CCCCCC1 308151932 346262499 /nfs/dbraw/zinc/26/24/99/346262499.db2.gz JWJRCDUWBOMIIC-NWDGAFQWSA-N 0 3 177.291 2.487 10 30 AEEEHN C#C[C@H](C)N[C@H]1C=CCCCCC1 308151933 346262540 /nfs/dbraw/zinc/26/25/40/346262540.db2.gz JWJRCDUWBOMIIC-RYUDHWBXSA-N 0 3 177.291 2.487 10 30 AEEEHN C#C[C@@H](C)N[C@@H]1C=CCCCCC1 308151934 346262585 /nfs/dbraw/zinc/26/25/85/346262585.db2.gz JWJRCDUWBOMIIC-VXGBXAGGSA-N 0 3 177.291 2.487 10 30 AEEEHN C/C(=C/Cl)C[C@@]1(C#N)CCCNC1 308194028 346268184 /nfs/dbraw/zinc/26/81/84/346268184.db2.gz PPSZGUDPLQCVHE-ABRRARGCSA-N 0 3 198.697 2.412 10 30 AEEEHN C/C(=C/Cl)C[C@]1(C#N)CCCNC1 308194029 346268450 /nfs/dbraw/zinc/26/84/50/346268450.db2.gz PPSZGUDPLQCVHE-MBACFSSFSA-N 0 3 198.697 2.412 10 30 AEEEHN CCCN(C)Cc1cc(C#N)cs1 308211672 346270422 /nfs/dbraw/zinc/27/04/22/346270422.db2.gz GSWGVBUSXVEEJP-UHFFFAOYSA-N 0 3 194.303 2.462 10 30 AEEEHN C[C@H](C#N)CN[C@H](C)[C@@H]1CC1(C)C 308226243 346272098 /nfs/dbraw/zinc/27/20/98/346272098.db2.gz DWSJKZXXPHKENB-BBBLOLIVSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@H](C#N)CN[C@H](C)[C@H]1CC1(C)C 308226246 346272330 /nfs/dbraw/zinc/27/23/30/346272330.db2.gz DWSJKZXXPHKENB-OPRDCNLKSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@H](C#N)CN[C@@H](C)[C@H]1CC1(C)C 308226245 346272499 /nfs/dbraw/zinc/27/24/99/346272499.db2.gz DWSJKZXXPHKENB-KXUCPTDWSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@H](C#N)CN[C@@H](C)[C@@H]1CC1(C)C 308226248 346272543 /nfs/dbraw/zinc/27/25/43/346272543.db2.gz DWSJKZXXPHKENB-UTLUCORTSA-N 0 3 180.295 2.170 10 30 AEEEHN CC(C)(C#N)CNCC1(C)CCC1 308252821 346276924 /nfs/dbraw/zinc/27/69/24/346276924.db2.gz ISNDEIXVNNCGFL-UHFFFAOYSA-N 0 3 180.295 2.316 10 30 AEEEHN CC(C)C[C@@H](C)NCC1(C#N)CC1 308262623 346277973 /nfs/dbraw/zinc/27/79/73/346277973.db2.gz OATZTERGQUXXET-SNVBAGLBSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)C[C@H](C)NCC1(C#N)CC1 308262622 346278144 /nfs/dbraw/zinc/27/81/44/346278144.db2.gz OATZTERGQUXXET-JTQLQIEISA-N 0 3 180.295 2.314 10 30 AEEEHN C/C=C\CNCc1cccc(C#N)c1 308402383 346298966 /nfs/dbraw/zinc/29/89/66/346298966.db2.gz YMLSCWLGOPJSKA-IHWYPQMZSA-N 0 3 186.258 2.224 10 30 AEEEHN CC[C@H]1CCN1CCC(C)(C)C#N 308417792 346300171 /nfs/dbraw/zinc/30/01/71/346300171.db2.gz RICWIMOTRRFEJN-JTQLQIEISA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@@H]1CCN1CCC(C)(C)C#N 308417795 346300218 /nfs/dbraw/zinc/30/02/18/346300218.db2.gz RICWIMOTRRFEJN-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN CC1(C#N)CCN(CCCCF)CC1 308538209 346311517 /nfs/dbraw/zinc/31/15/17/346311517.db2.gz MWCPHHMLOUYJHJ-UHFFFAOYSA-N 0 3 198.285 2.362 10 30 AEEEHN CC(C)C1CC(NCC2(C#N)CC2)C1 308550452 346312285 /nfs/dbraw/zinc/31/22/85/346312285.db2.gz XHWUEWLQDIFRJU-UHFFFAOYSA-N 0 3 192.306 2.314 10 30 AEEEHN CN(CCC1CC1)[C@H]1CCC[C@@H]1C#N 308661716 346317525 /nfs/dbraw/zinc/31/75/25/346317525.db2.gz QGHSVAGUZQXIQY-NEPJUHHUSA-N 0 3 192.306 2.411 10 30 AEEEHN CN(CCC1CC1)[C@@H]1CCC[C@@H]1C#N 308661719 346317581 /nfs/dbraw/zinc/31/75/81/346317581.db2.gz QGHSVAGUZQXIQY-VXGBXAGGSA-N 0 3 192.306 2.411 10 30 AEEEHN CN(CCC1CC1)[C@@H]1CCC[C@H]1C#N 308661717 346317782 /nfs/dbraw/zinc/31/77/82/346317782.db2.gz QGHSVAGUZQXIQY-NWDGAFQWSA-N 0 3 192.306 2.411 10 30 AEEEHN CN(CCC1CC1)[C@H]1CCC[C@H]1C#N 308661718 346317810 /nfs/dbraw/zinc/31/78/10/346317810.db2.gz QGHSVAGUZQXIQY-RYUDHWBXSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@H](NC[C@H](C)C#N)[C@@H]1C[C@H]1C 322165205 346323353 /nfs/dbraw/zinc/32/33/53/346323353.db2.gz KSNVUBNNQQENDR-DBIOUOCHSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@H](NCC(C)(C)C#N)[C@@H]1C[C@H]1C 322192108 346323387 /nfs/dbraw/zinc/32/33/87/346323387.db2.gz PLHRYWKMXNPDHJ-KXUCPTDWSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@@H]1C[C@@H]1[C@@H](C)NCC(C)(C)C#N 322192106 346323425 /nfs/dbraw/zinc/32/34/25/346323425.db2.gz PLHRYWKMXNPDHJ-BBBLOLIVSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@@H]1C[C@H]1[C@@H](C)NCC(C)(C)C#N 322192109 346323451 /nfs/dbraw/zinc/32/34/51/346323451.db2.gz PLHRYWKMXNPDHJ-OPRDCNLKSA-N 0 3 180.295 2.170 10 30 AEEEHN CC[C@H](CC#N)N[C@H](C)[C@H]1C[C@H]1C 322139311 346323575 /nfs/dbraw/zinc/32/35/75/346323575.db2.gz GLQZVGNSWMPGHD-DBIOUOCHSA-N 0 3 180.295 2.313 10 30 AEEEHN CC[C@H](CC#N)N[C@H](C)[C@@H]1C[C@H]1C 322139313 346323592 /nfs/dbraw/zinc/32/35/92/346323592.db2.gz GLQZVGNSWMPGHD-GWOFURMSSA-N 0 3 180.295 2.313 10 30 AEEEHN CC[C@H](NC[C@H](C)C#N)[C@H]1C[C@@H]1C 322165206 346323640 /nfs/dbraw/zinc/32/36/40/346323640.db2.gz KSNVUBNNQQENDR-RCWTZXSCSA-N 0 3 180.295 2.170 10 30 AEEEHN C[C@H](NCC(C)(C)C#N)[C@H]1C[C@H]1C 322192111 346323688 /nfs/dbraw/zinc/32/36/88/346323688.db2.gz PLHRYWKMXNPDHJ-UTLUCORTSA-N 0 3 180.295 2.170 10 30 AEEEHN CC[C@H](NC[C@H](C)C#N)[C@H]1C[C@H]1C 322165208 346323703 /nfs/dbraw/zinc/32/37/03/346323703.db2.gz KSNVUBNNQQENDR-ZNSHCXBVSA-N 0 3 180.295 2.170 10 30 AEEEHN CC[C@H](CC#N)N[C@H](C)[C@@H]1C[C@@H]1C 322139314 346323707 /nfs/dbraw/zinc/32/37/07/346323707.db2.gz GLQZVGNSWMPGHD-LNFKQOIKSA-N 0 3 180.295 2.313 10 30 AEEEHN CC[C@H](CC#N)N[C@H](C)[C@H]1C[C@@H]1C 322139315 346323760 /nfs/dbraw/zinc/32/37/60/346323760.db2.gz GLQZVGNSWMPGHD-ZDCRXTMVSA-N 0 3 180.295 2.313 10 30 AEEEHN CC[C@H](NC[C@H](C)C#N)[C@@H]1C[C@@H]1C 322165207 346323854 /nfs/dbraw/zinc/32/38/54/346323854.db2.gz KSNVUBNNQQENDR-YTWAJWBKSA-N 0 3 180.295 2.170 10 30 AEEEHN CC[C@H](CC#N)N[C@H]1CCC[C@H]2C[C@H]21 378720737 346483788 /nfs/dbraw/zinc/48/37/88/346483788.db2.gz FYRAONZKEZFNAA-QCNOEVLYSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1CCC[C@H]2C[C@H]21 378720725 346483825 /nfs/dbraw/zinc/48/38/25/346483825.db2.gz FYRAONZKEZFNAA-IRCOFANPSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H](CC#N)N[C@H]1CCC[C@H]2C[C@H]21 378720739 346483961 /nfs/dbraw/zinc/48/39/61/346483961.db2.gz FYRAONZKEZFNAA-YFKTTZPYSA-N 0 3 192.306 2.457 10 30 AEEEHN CC[C@@H](CC#N)N[C@@H]1CCC[C@H]2C[C@H]21 378720735 346483966 /nfs/dbraw/zinc/48/39/66/346483966.db2.gz FYRAONZKEZFNAA-NNYUYHANSA-N 0 3 192.306 2.457 10 30 AEEEHN CC(C)C1(NCC2(C#N)CC2)CC1 378735243 346484250 /nfs/dbraw/zinc/48/42/50/346484250.db2.gz FYENLNFURCAENN-UHFFFAOYSA-N 0 3 178.279 2.068 10 30 AEEEHN C=CC[C@@H](C)NCc1cc(C)no1 379343310 346503597 /nfs/dbraw/zinc/50/35/97/346503597.db2.gz JXHJWTINKMAUFN-MRVPVSSYSA-N 0 3 180.251 2.037 10 30 AEEEHN C=CCCCN[C@@H]1CCC[C@@H]1C#N 379349239 346504028 /nfs/dbraw/zinc/50/40/28/346504028.db2.gz OBPIUCSBAWDXHZ-GHMZBOCLSA-N 0 3 178.279 2.234 10 30 AEEEHN C=CCCCN[C@@H]1CCC[C@H]1C#N 379349242 346504245 /nfs/dbraw/zinc/50/42/45/346504245.db2.gz OBPIUCSBAWDXHZ-WDEREUQCSA-N 0 3 178.279 2.234 10 30 AEEEHN C=CCCCN[C@H]1CCC[C@@H]1C#N 379349240 346504280 /nfs/dbraw/zinc/50/42/80/346504280.db2.gz OBPIUCSBAWDXHZ-MNOVXSKESA-N 0 3 178.279 2.234 10 30 AEEEHN C=CCCCN[C@H]1CCC[C@H]1C#N 379349241 346504298 /nfs/dbraw/zinc/50/42/98/346504298.db2.gz OBPIUCSBAWDXHZ-QWRGUYRKSA-N 0 3 178.279 2.234 10 30 AEEEHN C=CCCCN1C[C@H](C)O[C@@H](C)C1 379389386 346513457 /nfs/dbraw/zinc/51/34/57/346513457.db2.gz LJJHXSGSGMLPCJ-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCN1C[C@@H](C)O[C@H](C)C1 379389385 346513490 /nfs/dbraw/zinc/51/34/90/346513490.db2.gz LJJHXSGSGMLPCJ-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCN1[C@@H](C)COC[C@H]1C 379406115 346519040 /nfs/dbraw/zinc/51/90/40/346519040.db2.gz VPFXSWWWNJLUNB-PHIMTYICSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCN1[C@@H](C)COC[C@@H]1C 379406116 346519119 /nfs/dbraw/zinc/51/91/19/346519119.db2.gz VPFXSWWWNJLUNB-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCN1[C@H](C)COC[C@H]1C 379406114 346519311 /nfs/dbraw/zinc/51/93/11/346519311.db2.gz VPFXSWWWNJLUNB-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCNCc1ccc(C#N)o1 379487513 346523457 /nfs/dbraw/zinc/52/34/57/346523457.db2.gz LDMCIGKUROPPHN-UHFFFAOYSA-N 0 3 190.246 2.207 10 30 AEEEHN CC1(CNCC2(C#N)CC2)CCC1 379419899 346523715 /nfs/dbraw/zinc/52/37/15/346523715.db2.gz ZFPIWRMVAWIZEE-UHFFFAOYSA-N 0 3 178.279 2.070 10 30 AEEEHN C=CCCCCNCc1cc(C)no1 379537837 346525204 /nfs/dbraw/zinc/52/52/04/346525204.db2.gz MRLVWDAZVPHHCE-UHFFFAOYSA-N 0 3 194.278 2.429 10 30 AEEEHN C[C@H](NCC1(C#N)CC1)[C@@H]1CC1(C)C 379599597 346526422 /nfs/dbraw/zinc/52/64/22/346526422.db2.gz JULAYYSDHQKTFU-UWVGGRQHSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](NCC1(C#N)CC1)[C@H]1CC1(C)C 379599598 346526504 /nfs/dbraw/zinc/52/65/04/346526504.db2.gz JULAYYSDHQKTFU-VHSXEESVSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H](NCC1(C#N)CC1)[C@@H]1CC1(C)C 379599599 346527214 /nfs/dbraw/zinc/52/72/14/346527214.db2.gz JULAYYSDHQKTFU-ZJUUUORDSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](C#N)CN[C@H]1CC[C@@H]1C1CCC1 379631720 346527995 /nfs/dbraw/zinc/52/79/95/346527995.db2.gz ODLSRWHQGXMUSG-JLLWLGSASA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H](CC#N)NCC12CCC(CC1)C2 379640335 346528138 /nfs/dbraw/zinc/52/81/38/346528138.db2.gz UKMCBUXPSHYBJK-UNXYVOJBSA-N 0 3 192.306 2.458 10 30 AEEEHN C=C(C)CCNCc1oc(C)nc1C 381837382 346529670 /nfs/dbraw/zinc/52/96/70/346529670.db2.gz AULDDFXXORLUPD-UHFFFAOYSA-N 0 3 194.278 2.347 10 30 AEEEHN C#CCN(C)[C@H]1C=CCCCCC1 382006568 346531292 /nfs/dbraw/zinc/53/12/92/346531292.db2.gz BFSHSUSLISHYLV-LBPRGKRZSA-N 0 3 177.291 2.440 10 30 AEEEHN C#CCN(C)[C@@H]1C=CCCCCC1 382006561 346531558 /nfs/dbraw/zinc/53/15/58/346531558.db2.gz BFSHSUSLISHYLV-GFCCVEGCSA-N 0 3 177.291 2.440 10 30 AEEEHN C=CC(C)(C)CNCc1cc(C)no1 384907648 346540764 /nfs/dbraw/zinc/54/07/64/346540764.db2.gz AVUGDRIXTQZYEO-UHFFFAOYSA-N 0 3 194.278 2.285 10 30 AEEEHN C=C(C)CCN[C@H]1CCC[C@@H]1C#N 387440440 346545075 /nfs/dbraw/zinc/54/50/75/346545075.db2.gz PLXNMRGLWFXQGT-MNOVXSKESA-N 0 3 178.279 2.234 10 30 AEEEHN C=C(C)CCN[C@H]1CCC[C@H]1C#N 387440441 346545257 /nfs/dbraw/zinc/54/52/57/346545257.db2.gz PLXNMRGLWFXQGT-QWRGUYRKSA-N 0 3 178.279 2.234 10 30 AEEEHN C=C(C)CCN[C@@H]1CCC[C@H]1C#N 387440443 346545286 /nfs/dbraw/zinc/54/52/86/346545286.db2.gz PLXNMRGLWFXQGT-WDEREUQCSA-N 0 3 178.279 2.234 10 30 AEEEHN N#C[C@H]1CCC[C@H]1NCCCCF 388155821 346547121 /nfs/dbraw/zinc/54/71/21/346547121.db2.gz BCCIYTYVIJPSFV-NXEZZACHSA-N 0 3 184.258 2.018 10 30 AEEEHN N#C[C@H]1CCC[C@@H]1NCCCCF 388155841 346547213 /nfs/dbraw/zinc/54/72/13/346547213.db2.gz BCCIYTYVIJPSFV-ZJUUUORDSA-N 0 3 184.258 2.018 10 30 AEEEHN N#C[C@@H]1CCC[C@H]1NCCCCF 388155839 346547412 /nfs/dbraw/zinc/54/74/12/346547412.db2.gz BCCIYTYVIJPSFV-VHSXEESVSA-N 0 3 184.258 2.018 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1NCCCCF 388155822 346547505 /nfs/dbraw/zinc/54/75/05/346547505.db2.gz BCCIYTYVIJPSFV-UWVGGRQHSA-N 0 3 184.258 2.018 10 30 AEEEHN C=CCCN(CCC#N)CC1CC1 388621959 346561535 /nfs/dbraw/zinc/56/15/35/346561535.db2.gz FTIODNWUJCILSV-UHFFFAOYSA-N 0 3 178.279 2.188 10 30 AEEEHN C=CCCCN(C)Cc1ccno1 388628949 346562297 /nfs/dbraw/zinc/56/22/97/346562297.db2.gz ICOKAWRVQQMGFD-UHFFFAOYSA-N 0 3 180.251 2.073 10 30 AEEEHN N#C[C@@H]1CCCC[C@H]1NCCCCF 388815873 346567813 /nfs/dbraw/zinc/56/78/13/346567813.db2.gz QTLILAMXJPFHDJ-WDEREUQCSA-N 0 3 198.285 2.408 10 30 AEEEHN N#C[C@@H]1CCCC[C@@H]1NCCCCF 388815872 346567876 /nfs/dbraw/zinc/56/78/76/346567876.db2.gz QTLILAMXJPFHDJ-QWRGUYRKSA-N 0 3 198.285 2.408 10 30 AEEEHN N#C[C@H]1CCCC[C@@H]1NCCCCF 388815871 346568195 /nfs/dbraw/zinc/56/81/95/346568195.db2.gz QTLILAMXJPFHDJ-MNOVXSKESA-N 0 3 198.285 2.408 10 30 AEEEHN N#C[C@@H]1CCCC[C@H]1NCCCF 388825333 346568290 /nfs/dbraw/zinc/56/82/90/346568290.db2.gz VDSQMJLKDBINAB-VHSXEESVSA-N 0 3 184.258 2.018 10 30 AEEEHN N#C[C@H]1CCCC[C@@H]1NCCCF 388825352 346568372 /nfs/dbraw/zinc/56/83/72/346568372.db2.gz VDSQMJLKDBINAB-ZJUUUORDSA-N 0 3 184.258 2.018 10 30 AEEEHN N#C[C@H]1CCCC[C@H]1NCCCF 388825308 346568429 /nfs/dbraw/zinc/56/84/29/346568429.db2.gz VDSQMJLKDBINAB-NXEZZACHSA-N 0 3 184.258 2.018 10 30 AEEEHN N#C[C@H]1CCCC[C@H]1NCCCCF 388815870 346568437 /nfs/dbraw/zinc/56/84/37/346568437.db2.gz QTLILAMXJPFHDJ-GHMZBOCLSA-N 0 3 198.285 2.408 10 30 AEEEHN N#C[C@@H]1CCCC[C@@H]1NCCCF 388825330 346568452 /nfs/dbraw/zinc/56/84/52/346568452.db2.gz VDSQMJLKDBINAB-UWVGGRQHSA-N 0 3 184.258 2.018 10 30 AEEEHN C=C[C@@H]1CCCCN1CCCC#N 388870918 346568735 /nfs/dbraw/zinc/56/87/35/346568735.db2.gz GTNOKXUWGWGWTM-LLVKDONJSA-N 0 3 178.279 2.331 10 30 AEEEHN C=C[C@H]1CCCCN1CCCC#N 388870919 346568744 /nfs/dbraw/zinc/56/87/44/346568744.db2.gz GTNOKXUWGWGWTM-NSHDSACASA-N 0 3 178.279 2.331 10 30 AEEEHN C=C[C@H](C)NCc1ccnc(C)c1 391162224 346573945 /nfs/dbraw/zinc/57/39/45/346573945.db2.gz BRQDRFXWUBPIFX-VIFPVBQESA-N 0 3 176.263 2.054 10 30 AEEEHN C=C(CC)CNCc1ccnc(C)c1 391176644 346574100 /nfs/dbraw/zinc/57/41/00/346574100.db2.gz JZBSWHUARNQKSS-UHFFFAOYSA-N 0 3 190.290 2.446 10 30 AEEEHN C=C[C@@H](C)NCc1ccnc(C)c1 391162210 346574158 /nfs/dbraw/zinc/57/41/58/346574158.db2.gz BRQDRFXWUBPIFX-SECBINFHSA-N 0 3 176.263 2.054 10 30 AEEEHN C=C(C)CNCc1ccnc(C)c1 391215882 346574292 /nfs/dbraw/zinc/57/42/92/346574292.db2.gz SNJNYNMRIHFOIZ-UHFFFAOYSA-N 0 3 176.263 2.056 10 30 AEEEHN C/C=C\CN1CCC(CC#N)CC1 393717512 346582571 /nfs/dbraw/zinc/58/25/71/346582571.db2.gz NJOVKOBTUSOYIW-IHWYPQMZSA-N 0 3 178.279 2.188 10 30 AEEEHN C[C@@H](CC#N)NCC1CC(C)(C)C1 393714975 346582676 /nfs/dbraw/zinc/58/26/76/346582676.db2.gz LJYZWCJIGBQDHZ-VIFPVBQESA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H](CC#N)NCC1CC(C)(C)C1 393714974 346582701 /nfs/dbraw/zinc/58/27/01/346582701.db2.gz LJYZWCJIGBQDHZ-SECBINFHSA-N 0 3 180.295 2.314 10 30 AEEEHN C=CC[C@H](CC)NCc1cc(C)no1 393758393 346583234 /nfs/dbraw/zinc/58/32/34/346583234.db2.gz JNQRZPAQRDKQCH-JTQLQIEISA-N 0 3 194.278 2.427 10 30 AEEEHN C=CC[C@@H](CC)NCc1cc(C)no1 393758408 346583236 /nfs/dbraw/zinc/58/32/36/346583236.db2.gz JNQRZPAQRDKQCH-SNVBAGLBSA-N 0 3 194.278 2.427 10 30 AEEEHN CCC[C@H](C)CNCC1(C#N)CC1 393721372 346583244 /nfs/dbraw/zinc/58/32/44/346583244.db2.gz INWQDNKZLFFJCJ-JTQLQIEISA-N 0 3 180.295 2.316 10 30 AEEEHN CCC[C@@H](C)CNCC1(C#N)CC1 393721373 346583295 /nfs/dbraw/zinc/58/32/95/346583295.db2.gz INWQDNKZLFFJCJ-SNVBAGLBSA-N 0 3 180.295 2.316 10 30 AEEEHN Cc1cc(CNCCCC#N)cs1 394492508 346584636 /nfs/dbraw/zinc/58/46/36/346584636.db2.gz RXBREPXZIQHKQN-UHFFFAOYSA-N 0 3 194.303 2.450 10 30 AEEEHN CC(C)OCCCN(C)CCCC#N 394985824 346585771 /nfs/dbraw/zinc/58/57/71/346585771.db2.gz CSURKWAWOGBPFF-UHFFFAOYSA-N 0 3 198.310 2.037 10 30 AEEEHN N#CC[C@@H]1CCCN(CCCCF)C1 397666177 346592808 /nfs/dbraw/zinc/59/28/08/346592808.db2.gz GRUOXOJJKRJZBB-NSHDSACASA-N 0 3 198.285 2.362 10 30 AEEEHN N#CC[C@H]1CCCN(CCCCF)C1 397666175 346593030 /nfs/dbraw/zinc/59/30/30/346593030.db2.gz GRUOXOJJKRJZBB-LLVKDONJSA-N 0 3 198.285 2.362 10 30 AEEEHN C=CCCCNCc1cnc(C)o1 398040848 346594630 /nfs/dbraw/zinc/59/46/30/346594630.db2.gz XQJSHJQMXOBUIU-UHFFFAOYSA-N 0 3 180.251 2.039 10 30 AEEEHN C=C(C)CCNCc1cnc(C)o1 398033689 346594648 /nfs/dbraw/zinc/59/46/48/346594648.db2.gz RHWZDTWLMLERJW-UHFFFAOYSA-N 0 3 180.251 2.039 10 30 AEEEHN C[C@H](CC#N)NC[C@@H]1CC[C@H]2C[C@H]2C1 403161504 346633860 /nfs/dbraw/zinc/63/38/60/346633860.db2.gz AIJVNCMBVYOVPM-WISYIIOYSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](CC#N)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 403161503 346633880 /nfs/dbraw/zinc/63/38/80/346633880.db2.gz AIJVNCMBVYOVPM-KKOKHZNYSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](C#N)CNC[C@@H]1CC[C@H]2C[C@H]2C1 403229724 346634225 /nfs/dbraw/zinc/63/42/25/346634225.db2.gz NWDKRWRIYPGVHS-WISYIIOYSA-N 0 3 192.306 2.172 10 30 AEEEHN C[C@H](C#N)CNC[C@@H]1CC[C@@H]2C[C@@H]2C1 403229723 346634249 /nfs/dbraw/zinc/63/42/49/346634249.db2.gz NWDKRWRIYPGVHS-KKOKHZNYSA-N 0 3 192.306 2.172 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403317825 346634677 /nfs/dbraw/zinc/63/46/77/346634677.db2.gz GUYTUUSIBHQSMD-RGOKHQFPSA-N 0 3 177.247 2.151 10 30 AEEEHN C[C@@H](NCC1(C#N)CCCC1)C1CC1 405092621 346657127 /nfs/dbraw/zinc/65/71/27/346657127.db2.gz HPTCHVLTSUGODX-SNVBAGLBSA-N 0 3 192.306 2.458 10 30 AEEEHN C[C@@H]1C[C@@H]1CNCC1(C#N)CCCC1 405112222 346657587 /nfs/dbraw/zinc/65/75/87/346657587.db2.gz UCRRLXPSDVNTSQ-GHMZBOCLSA-N 0 3 192.306 2.316 10 30 AEEEHN C[C@H]1C[C@@H]1CNCC1(C#N)CCCC1 405112227 346657603 /nfs/dbraw/zinc/65/76/03/346657603.db2.gz UCRRLXPSDVNTSQ-WDEREUQCSA-N 0 3 192.306 2.316 10 30 AEEEHN C[C@H]1C[C@H]1CNCC1(C#N)CCCC1 405112225 346657636 /nfs/dbraw/zinc/65/76/36/346657636.db2.gz UCRRLXPSDVNTSQ-QWRGUYRKSA-N 0 3 192.306 2.316 10 30 AEEEHN C[C@@H]1C[C@H]1CNCC1(C#N)CCCC1 405112223 346657753 /nfs/dbraw/zinc/65/77/53/346657753.db2.gz UCRRLXPSDVNTSQ-MNOVXSKESA-N 0 3 192.306 2.316 10 30 AEEEHN CC1CC(NCC2(C#N)CCCC2)C1 405115662 346657777 /nfs/dbraw/zinc/65/77/77/346657777.db2.gz WKQGTKILHOZNLA-UHFFFAOYSA-N 0 3 192.306 2.458 10 30 AEEEHN CC(C)CNCC1(C#N)CCCC1 405116966 346658197 /nfs/dbraw/zinc/65/81/97/346658197.db2.gz XLXVMQMCKBBOKK-UHFFFAOYSA-N 0 3 180.295 2.316 10 30 AEEEHN C[C@@H]1C[C@H]1CN(C)CC(C)(C)C#N 405149552 346658614 /nfs/dbraw/zinc/65/86/14/346658614.db2.gz GTNLBJVBWPCCNS-ZJUUUORDSA-N 0 3 180.295 2.124 10 30 AEEEHN C[C@@H]1C[C@@H]1CN(C)CC(C)(C)C#N 405149539 346658746 /nfs/dbraw/zinc/65/87/46/346658746.db2.gz GTNLBJVBWPCCNS-NXEZZACHSA-N 0 3 180.295 2.124 10 30 AEEEHN C[C@H]1C[C@H]1CN(C)CC(C)(C)C#N 405149542 346658795 /nfs/dbraw/zinc/65/87/95/346658795.db2.gz GTNLBJVBWPCCNS-UWVGGRQHSA-N 0 3 180.295 2.124 10 30 AEEEHN C[C@H]1C[C@@H]1CN(C)CC(C)(C)C#N 405149548 346658871 /nfs/dbraw/zinc/65/88/71/346658871.db2.gz GTNLBJVBWPCCNS-VHSXEESVSA-N 0 3 180.295 2.124 10 30 AEEEHN C=C[C@@H](N)c1cc(F)cc(CF)c1 584595368 346719075 /nfs/dbraw/zinc/71/90/75/346719075.db2.gz HYMHJQPZFFEYSM-SNVBAGLBSA-N 0 3 183.201 2.481 10 30 AEEEHN N#CCCCCc1sccc1CN 584643563 346739968 /nfs/dbraw/zinc/73/99/68/346739968.db2.gz HZRGICTYSYCMHA-UHFFFAOYSA-N 0 3 194.303 2.443 10 30 AEEEHN O/N=C1/C=CCC[C@@H]1N1CCCCC1 584658193 346745581 /nfs/dbraw/zinc/74/55/81/346745581.db2.gz RMAFGKKAOHWKCD-NIANNCQZSA-N 0 3 194.278 2.021 10 30 AEEEHN O/N=C1/C=CCC[C@H]1N1CCCCC1 584658191 346745601 /nfs/dbraw/zinc/74/56/01/346745601.db2.gz RMAFGKKAOHWKCD-JPQYHBGPSA-N 0 3 194.278 2.021 10 30 AEEEHN C=CCN(C)Cc1ccc(OC)cc1 588791855 346767538 /nfs/dbraw/zinc/76/75/38/346767538.db2.gz BPVMQGNBPALTKM-UHFFFAOYSA-N 0 3 191.274 2.313 10 30 AEEEHN CC#CCN(C)CCCC(C)(C)C#N 590209306 346778917 /nfs/dbraw/zinc/77/89/17/346778917.db2.gz ALTOTDWBCWFMQH-UHFFFAOYSA-N 0 3 192.306 2.271 10 30 AEEEHN C=CCN(CC=C)[C@H](C)CCC#N 591011295 346799984 /nfs/dbraw/zinc/79/99/84/346799984.db2.gz BRGYSCDWQZYITL-LLVKDONJSA-N 0 3 178.279 2.353 10 30 AEEEHN C=CCN(CC=C)[C@@H](C)CCC#N 591011296 346800018 /nfs/dbraw/zinc/80/00/18/346800018.db2.gz BRGYSCDWQZYITL-NSHDSACASA-N 0 3 178.279 2.353 10 30 AEEEHN C[C@@H](CCC#N)N1CCCSCC1 591020562 346800632 /nfs/dbraw/zinc/80/06/32/346800632.db2.gz OQAZRCADFGNYHQ-JTQLQIEISA-N 0 3 198.335 2.118 10 30 AEEEHN C[C@H](CCC#N)N1CCCSCC1 591020567 346800843 /nfs/dbraw/zinc/80/08/43/346800843.db2.gz OQAZRCADFGNYHQ-SNVBAGLBSA-N 0 3 198.335 2.118 10 30 AEEEHN C=C(C)CN(C)[C@H](C)CCC#N 591025451 346801152 /nfs/dbraw/zinc/80/11/52/346801152.db2.gz HLHDAUZMJSJWEE-SNVBAGLBSA-N 0 3 166.268 2.187 10 30 AEEEHN C=C(C)CN(C)[C@@H](C)CCC#N 591025448 346801633 /nfs/dbraw/zinc/80/16/33/346801633.db2.gz HLHDAUZMJSJWEE-JTQLQIEISA-N 0 3 166.268 2.187 10 30 AEEEHN CC1=CCCN([C@@H](C)CCC#N)C1 591035720 346802144 /nfs/dbraw/zinc/80/21/44/346802144.db2.gz FHYRBZMZNPNGIB-NSHDSACASA-N 0 3 178.279 2.331 10 30 AEEEHN CC1=CCCN([C@H](C)CCC#N)C1 591035719 346802285 /nfs/dbraw/zinc/80/22/85/346802285.db2.gz FHYRBZMZNPNGIB-LLVKDONJSA-N 0 3 178.279 2.331 10 30 AEEEHN N#CCCNC1(C2CCC2)CCC1 591041005 346802924 /nfs/dbraw/zinc/80/29/24/346802924.db2.gz XWZBDDFNYHPEPZ-UHFFFAOYSA-N 0 3 178.279 2.212 10 30 AEEEHN C[C@@H]1C[C@H]1[C@@H](C)NCC1(C#N)CCC1 591357713 346811369 /nfs/dbraw/zinc/81/13/69/346811369.db2.gz XOVCCHIBRPCIIP-GMTAPVOTSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H]1[C@H](C)C[C@H]1NCC1(C#N)CCC1 591357669 346811423 /nfs/dbraw/zinc/81/14/23/346811423.db2.gz CLLCTXPCTCQAKV-OUAUKWLOSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](NCC1(C#N)CCC1)[C@@H]1C[C@H]1C 591357715 346811438 /nfs/dbraw/zinc/81/14/38/346811438.db2.gz XOVCCHIBRPCIIP-OUAUKWLOSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H]1C[C@H](NCC2(C#N)CCC2)[C@@H]1C 591357668 346811473 /nfs/dbraw/zinc/81/14/73/346811473.db2.gz CLLCTXPCTCQAKV-MXWKQRLJSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H](NCC1(C#N)CCC1)C1CC1 591357615 346811495 /nfs/dbraw/zinc/81/14/95/346811495.db2.gz FHUKBFYSOMJYQC-SECBINFHSA-N 0 3 178.279 2.068 10 30 AEEEHN C[C@@H]1C[C@@H](NCC2(C#N)CCC2)[C@@H]1C 591357667 346811501 /nfs/dbraw/zinc/81/15/01/346811501.db2.gz CLLCTXPCTCQAKV-GMTAPVOTSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@H](NCC1(C#N)CCC1)[C@H]1C[C@H]1C 591357716 346811510 /nfs/dbraw/zinc/81/15/10/346811510.db2.gz XOVCCHIBRPCIIP-VWYCJHECSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H]1[C@@H](NCC2(C#N)CCC2)C[C@H]1C 591357670 346811573 /nfs/dbraw/zinc/81/15/73/346811573.db2.gz CLLCTXPCTCQAKV-VWYCJHECSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@H]1C[C@@H]1[C@@H](C)NCC1(C#N)CCC1 591357714 346811662 /nfs/dbraw/zinc/81/16/62/346811662.db2.gz XOVCCHIBRPCIIP-MXWKQRLJSA-N 0 3 192.306 2.314 10 30 AEEEHN CC1(CNCC2(C#N)CCC2)CC1 591357614 346811701 /nfs/dbraw/zinc/81/17/01/346811701.db2.gz DXDFAMQXNGPPIR-UHFFFAOYSA-N 0 3 178.279 2.070 10 30 AEEEHN C[C@H](NCC1(C#N)CCC1)C1CC1 591357616 346811714 /nfs/dbraw/zinc/81/17/14/346811714.db2.gz FHUKBFYSOMJYQC-VIFPVBQESA-N 0 3 178.279 2.068 10 30 AEEEHN CC1(CNCC2(C#N)CCC2)CCC1 591357654 346811726 /nfs/dbraw/zinc/81/17/26/346811726.db2.gz WCADFJQIBHFFJH-UHFFFAOYSA-N 0 3 192.306 2.460 10 30 AEEEHN N#CCCNCC12CCC(CC1)C2 591757238 346820408 /nfs/dbraw/zinc/82/04/08/346820408.db2.gz CWMYJCUWVCVXHM-UHFFFAOYSA-N 0 3 178.279 2.070 10 30 AEEEHN CC[C@H]1CC[C@H](NCCC#N)CC1 591768668 346821972 /nfs/dbraw/zinc/82/19/72/346821972.db2.gz RMNKILJUVKXNID-XYPYZODXSA-N 0 3 180.295 2.458 10 30 AEEEHN N#CCCNCC1(C2CCC2)CCC1 591771228 346822580 /nfs/dbraw/zinc/82/25/80/346822580.db2.gz WVLQCSWYMKQHGA-UHFFFAOYSA-N 0 3 192.306 2.460 10 30 AEEEHN C=CC[C@@H]1CC[C@@H](NC[C@H](C)C#N)C1 593616369 346840988 /nfs/dbraw/zinc/84/09/88/346840988.db2.gz ZSFPUZCIOQCGJT-IJLUTSLNSA-N 0 3 192.306 2.480 10 30 AEEEHN C=CC[C@@H]1CC[C@@H](NC[C@@H](C)C#N)C1 593616370 346841000 /nfs/dbraw/zinc/84/10/00/346841000.db2.gz ZSFPUZCIOQCGJT-QJPTWQEYSA-N 0 3 192.306 2.480 10 30 AEEEHN C=CC[C@@H]1CC[C@H](NC[C@@H](C)C#N)C1 593616371 346841076 /nfs/dbraw/zinc/84/10/76/346841076.db2.gz ZSFPUZCIOQCGJT-TUAOUCFPSA-N 0 3 192.306 2.480 10 30 AEEEHN C=CC[C@@H]1CC[C@H](NC[C@H](C)C#N)C1 593616372 346841105 /nfs/dbraw/zinc/84/11/05/346841105.db2.gz ZSFPUZCIOQCGJT-UTUOFQBUSA-N 0 3 192.306 2.480 10 30 AEEEHN C=CCCCCCNC(=O)C(C)C#N 594403995 346848197 /nfs/dbraw/zinc/84/81/97/346848197.db2.gz PGEUHAHPOIRGBK-SNVBAGLBSA-N 0 3 194.278 2.009 10 30 AEEEHN C=CCCCCCNC(=O)C(C)C#N 594403991 346848316 /nfs/dbraw/zinc/84/83/16/346848316.db2.gz PGEUHAHPOIRGBK-JTQLQIEISA-N 0 3 194.278 2.009 10 30 AEEEHN N#CCCNCCCC1CCC1 594730227 346851436 /nfs/dbraw/zinc/85/14/36/346851436.db2.gz CRMXBNMXODATRO-UHFFFAOYSA-N 0 3 166.268 2.070 10 30 AEEEHN C=C1CCN(CCCCCOC)CC1 594877654 346852023 /nfs/dbraw/zinc/85/20/23/346852023.db2.gz GYRTZUOVYLFTBR-UHFFFAOYSA-N 0 3 197.322 2.455 10 30 AEEEHN C=C1CCN(CCOCCCC)CC1 594877640 346852226 /nfs/dbraw/zinc/85/22/26/346852226.db2.gz DOHKFJCLVXUHNU-UHFFFAOYSA-N 0 3 197.322 2.455 10 30 AEEEHN N#CC1(CNCC2CC2)CCCCC1 594981180 346856084 /nfs/dbraw/zinc/85/60/84/346856084.db2.gz JKZMJVNTFXMUQQ-UHFFFAOYSA-N 0 3 192.306 2.460 10 30 AEEEHN C[C@H](CC#N)N(C)C[C@H]1C[C@@H]2C[C@@H]2C1 595342843 346858783 /nfs/dbraw/zinc/85/87/83/346858783.db2.gz ADIVJXJJPZJMBG-WISYIIOYSA-N 0 3 192.306 2.266 10 30 AEEEHN C[C@@H](CC#N)N(C)C[C@H]1C[C@@H]2C[C@@H]2C1 595342844 346859010 /nfs/dbraw/zinc/85/90/10/346859010.db2.gz ADIVJXJJPZJMBG-YFKTTZPYSA-N 0 3 192.306 2.266 10 30 AEEEHN N#C[C@@H]1CCC[C@H]1NCC1CC=CC1 595481291 346859664 /nfs/dbraw/zinc/85/96/64/346859664.db2.gz FENDSJPDHHXRKK-NWDGAFQWSA-N 0 3 190.290 2.234 10 30 AEEEHN N#C[C@H]1CCC[C@H]1NCC1CC=CC1 595481294 346859684 /nfs/dbraw/zinc/85/96/84/346859684.db2.gz FENDSJPDHHXRKK-VXGBXAGGSA-N 0 3 190.290 2.234 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1NCC1CC=CC1 595481293 346859764 /nfs/dbraw/zinc/85/97/64/346859764.db2.gz FENDSJPDHHXRKK-RYUDHWBXSA-N 0 3 190.290 2.234 10 30 AEEEHN N#C[C@H]1CCC[C@@H]1NCC1CC=CC1 595481280 346859773 /nfs/dbraw/zinc/85/97/73/346859773.db2.gz FENDSJPDHHXRKK-NEPJUHHUSA-N 0 3 190.290 2.234 10 30 AEEEHN CCC(C)(C)[C@@H](C)NCCC#N 595640041 346861048 /nfs/dbraw/zinc/86/10/48/346861048.db2.gz ZUNGWOJXIGUYBG-SECBINFHSA-N 0 3 168.284 2.314 10 30 AEEEHN CCC(C)(C)[C@H](C)NCCC#N 595640042 346861390 /nfs/dbraw/zinc/86/13/90/346861390.db2.gz ZUNGWOJXIGUYBG-VIFPVBQESA-N 0 3 168.284 2.314 10 30 AEEEHN N#CCCCN1CCC[C@H](CCF)C1 595765150 346863292 /nfs/dbraw/zinc/86/32/92/346863292.db2.gz XVLSJSSCGQGMPY-LLVKDONJSA-N 0 3 198.285 2.362 10 30 AEEEHN N#CCCCN1CCC[C@@H](CCF)C1 595765158 346863865 /nfs/dbraw/zinc/86/38/65/346863865.db2.gz XVLSJSSCGQGMPY-NSHDSACASA-N 0 3 198.285 2.362 10 30 AEEEHN C[C@@H](NCCC#N)C1CCC(F)CC1 595821447 346866178 /nfs/dbraw/zinc/86/61/78/346866178.db2.gz ZAKULOQJZAXYFT-KPPDAEKUSA-N 0 3 198.285 2.406 10 30 AEEEHN C[C@H](NCCC#N)C1CCC(F)CC1 595821448 346866274 /nfs/dbraw/zinc/86/62/74/346866274.db2.gz ZAKULOQJZAXYFT-WHXUTIOJSA-N 0 3 198.285 2.406 10 30 AEEEHN CC(C)CCN1CC[C@@](C)(C#N)C1 595836134 346866948 /nfs/dbraw/zinc/86/69/48/346866948.db2.gz WDMJTSYCCGTJEH-NSHDSACASA-N 0 3 180.295 2.268 10 30 AEEEHN C[C@@]1(C#N)CCN(CC2CCC2)C1 595837280 346867441 /nfs/dbraw/zinc/86/74/41/346867441.db2.gz FOOSVPHHARHSHF-NSHDSACASA-N 0 3 178.279 2.022 10 30 AEEEHN CC(C)CCN1CC[C@](C)(C#N)C1 595836133 346867532 /nfs/dbraw/zinc/86/75/32/346867532.db2.gz WDMJTSYCCGTJEH-LLVKDONJSA-N 0 3 180.295 2.268 10 30 AEEEHN C[C@]1(C#N)CCN(CC2CCC2)C1 595837279 346867600 /nfs/dbraw/zinc/86/76/00/346867600.db2.gz FOOSVPHHARHSHF-LLVKDONJSA-N 0 3 178.279 2.022 10 30 AEEEHN CCCCCN1CC[C@](C)(C#N)C1 595840669 346867801 /nfs/dbraw/zinc/86/78/01/346867801.db2.gz RRCMSCYIZMKDFL-LLVKDONJSA-N 0 3 180.295 2.412 10 30 AEEEHN C[C@]1(C#N)CCN(CCC2CC2)C1 595838643 346867829 /nfs/dbraw/zinc/86/78/29/346867829.db2.gz XJSVIPJOZPQKEN-LLVKDONJSA-N 0 3 178.279 2.022 10 30 AEEEHN C[C@]1(C#N)CCN(CC2CCCC2)C1 595839612 346867896 /nfs/dbraw/zinc/86/78/96/346867896.db2.gz KGOLMUMFLBBLSJ-GFCCVEGCSA-N 0 3 192.306 2.412 10 30 AEEEHN CCC[C@H](C)N1CC[C@](C)(C#N)C1 595842152 346867919 /nfs/dbraw/zinc/86/79/19/346867919.db2.gz PWFVVMVVEAUUIL-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN CCCCN1CC[C@@](C)(C#N)C1 595841034 346867969 /nfs/dbraw/zinc/86/79/69/346867969.db2.gz UMPGRXRINGZEMU-JTQLQIEISA-N 0 3 166.268 2.022 10 30 AEEEHN C[C@]1(C#N)CCN(CC2CC=CC2)C1 595841642 346868039 /nfs/dbraw/zinc/86/80/39/346868039.db2.gz NDLVZFOTLZEQIZ-GFCCVEGCSA-N 0 3 190.290 2.188 10 30 AEEEHN C[C@@]1(C#N)CCN(CC2CCCC2)C1 595839613 346868046 /nfs/dbraw/zinc/86/80/46/346868046.db2.gz KGOLMUMFLBBLSJ-LBPRGKRZSA-N 0 3 192.306 2.412 10 30 AEEEHN CCCCN1CC[C@](C)(C#N)C1 595841035 346868123 /nfs/dbraw/zinc/86/81/23/346868123.db2.gz UMPGRXRINGZEMU-SNVBAGLBSA-N 0 3 166.268 2.022 10 30 AEEEHN CC(C)[C@@H](C)N1CC[C@](C)(C#N)C1 595841057 346868171 /nfs/dbraw/zinc/86/81/71/346868171.db2.gz GPVFXKCOVFSURK-GHMZBOCLSA-N 0 3 180.295 2.266 10 30 AEEEHN CCC[C@@H](C)N1CC[C@](C)(C#N)C1 595842147 346868178 /nfs/dbraw/zinc/86/81/78/346868178.db2.gz PWFVVMVVEAUUIL-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CC(C)[C@H](C)N1CC[C@](C)(C#N)C1 595841060 346868184 /nfs/dbraw/zinc/86/81/84/346868184.db2.gz GPVFXKCOVFSURK-WDEREUQCSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@@]1(C#N)CCN(CCC2CC2)C1 595838644 346868300 /nfs/dbraw/zinc/86/83/00/346868300.db2.gz XJSVIPJOZPQKEN-NSHDSACASA-N 0 3 178.279 2.022 10 30 AEEEHN CCC[C@@H](C)N1CC[C@@](C)(C#N)C1 595842149 346868338 /nfs/dbraw/zinc/86/83/38/346868338.db2.gz PWFVVMVVEAUUIL-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN C[C@@]1(C#N)CCN(CCC2CCC2)C1 595841276 346868364 /nfs/dbraw/zinc/86/83/64/346868364.db2.gz JLDIECQSUIOBKQ-LBPRGKRZSA-N 0 3 192.306 2.412 10 30 AEEEHN CCC[C@H](C)N1CC[C@@](C)(C#N)C1 595842150 346868383 /nfs/dbraw/zinc/86/83/83/346868383.db2.gz PWFVVMVVEAUUIL-QWRGUYRKSA-N 0 3 180.295 2.411 10 30 AEEEHN C=CCCCN1CC[C@@](C)(C#N)C1 595840512 346868400 /nfs/dbraw/zinc/86/84/00/346868400.db2.gz QDBIEWJPBRDMQV-NSHDSACASA-N 0 3 178.279 2.188 10 30 AEEEHN C[C@@]1(C#N)CCN(CC2CC=CC2)C1 595841643 346868412 /nfs/dbraw/zinc/86/84/12/346868412.db2.gz NDLVZFOTLZEQIZ-LBPRGKRZSA-N 0 3 190.290 2.188 10 30 AEEEHN C=CCCCN1CC[C@](C)(C#N)C1 595840510 346868422 /nfs/dbraw/zinc/86/84/22/346868422.db2.gz QDBIEWJPBRDMQV-LLVKDONJSA-N 0 3 178.279 2.188 10 30 AEEEHN CC[C@H](C)CN1CC[C@](C)(C#N)C1 595838101 346868560 /nfs/dbraw/zinc/86/85/60/346868560.db2.gz QQSILFDDZXNDIF-WDEREUQCSA-N 0 3 180.295 2.268 10 30 AEEEHN CC(C)[C@H](C)N1CC[C@@](C)(C#N)C1 595841059 346868584 /nfs/dbraw/zinc/86/85/84/346868584.db2.gz GPVFXKCOVFSURK-QWRGUYRKSA-N 0 3 180.295 2.266 10 30 AEEEHN CCCCCN1CC[C@@](C)(C#N)C1 595840670 346868629 /nfs/dbraw/zinc/86/86/29/346868629.db2.gz RRCMSCYIZMKDFL-NSHDSACASA-N 0 3 180.295 2.412 10 30 AEEEHN CC(C)[C@@H](C)N1CC[C@@](C)(C#N)C1 595841058 346868679 /nfs/dbraw/zinc/86/86/79/346868679.db2.gz GPVFXKCOVFSURK-MNOVXSKESA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@]1(C#N)CCN(CCC2CCC2)C1 595841275 346868691 /nfs/dbraw/zinc/86/86/91/346868691.db2.gz JLDIECQSUIOBKQ-GFCCVEGCSA-N 0 3 192.306 2.412 10 30 AEEEHN C=C(C)CCN1CC[C@](C)(C#N)C1 595842932 346869288 /nfs/dbraw/zinc/86/92/88/346869288.db2.gz IIKIKFHQZBSNCZ-LLVKDONJSA-N 0 3 178.279 2.188 10 30 AEEEHN C[C@H](C#N)CN[C@H]1CCCSCC1 597084004 346883241 /nfs/dbraw/zinc/88/32/41/346883241.db2.gz WBYDHYKORRCIIU-ZJUUUORDSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@@H](C#N)CN[C@H]1CCCSCC1 597084002 346883344 /nfs/dbraw/zinc/88/33/44/346883344.db2.gz WBYDHYKORRCIIU-UWVGGRQHSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@H](C#N)CN[C@H]1CCCC12CC2 597083226 346883381 /nfs/dbraw/zinc/88/33/81/346883381.db2.gz QGZLIERUICTYAB-ZJUUUORDSA-N 0 3 178.279 2.068 10 30 AEEEHN CC(C)(C#N)CN[C@H]1CCCC12CC2 597081680 346883392 /nfs/dbraw/zinc/88/33/92/346883392.db2.gz CSQUMLQKRWCEDQ-JTQLQIEISA-N 0 3 192.306 2.458 10 30 AEEEHN C[C@@H](C#N)CN[C@H]1CCCC12CC2 597083224 346883416 /nfs/dbraw/zinc/88/34/16/346883416.db2.gz QGZLIERUICTYAB-UWVGGRQHSA-N 0 3 178.279 2.068 10 30 AEEEHN C[C@@H](C#N)CN[C@@H]1CCCC12CC2 597083225 346883425 /nfs/dbraw/zinc/88/34/25/346883425.db2.gz QGZLIERUICTYAB-VHSXEESVSA-N 0 3 178.279 2.068 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1CCCSCC1 597084001 346883487 /nfs/dbraw/zinc/88/34/87/346883487.db2.gz WBYDHYKORRCIIU-NXEZZACHSA-N 0 3 198.335 2.021 10 30 AEEEHN C[C@@H](C#N)CN[C@@H]1CCCSCC1 597084003 346883629 /nfs/dbraw/zinc/88/36/29/346883629.db2.gz WBYDHYKORRCIIU-VHSXEESVSA-N 0 3 198.335 2.021 10 30 AEEEHN N#CC1(CN[C@H]2CCCC23CC3)CC1 597121332 346883643 /nfs/dbraw/zinc/88/36/43/346883643.db2.gz NQZCGCWBFCFWGI-JTQLQIEISA-N 0 3 190.290 2.212 10 30 AEEEHN C[C@H](C#N)CN[C@@H]1CCCC12CC2 597083223 346883651 /nfs/dbraw/zinc/88/36/51/346883651.db2.gz QGZLIERUICTYAB-NXEZZACHSA-N 0 3 178.279 2.068 10 30 AEEEHN N#CC1(CN[C@@H]2CCCC23CC3)CC1 597121338 346883683 /nfs/dbraw/zinc/88/36/83/346883683.db2.gz NQZCGCWBFCFWGI-SNVBAGLBSA-N 0 3 190.290 2.212 10 30 AEEEHN CC(C)(C#N)CN[C@@H]1CCCC12CC2 597081683 346883746 /nfs/dbraw/zinc/88/37/46/346883746.db2.gz CSQUMLQKRWCEDQ-SNVBAGLBSA-N 0 3 192.306 2.458 10 30 AEEEHN N#CCC1CN(C[C@@H]2CC=CCC2)C1 597194671 346884687 /nfs/dbraw/zinc/88/46/87/346884687.db2.gz WUODRPNNAUIYHS-LLVKDONJSA-N 0 3 190.290 2.188 10 30 AEEEHN CCC(CC)CN1CC(CC#N)C1 597194246 346884759 /nfs/dbraw/zinc/88/47/59/346884759.db2.gz PLXUEVHKLGBFNF-UHFFFAOYSA-N 0 3 180.295 2.268 10 30 AEEEHN N#CCC1CN(C[C@H]2CC=CCC2)C1 597194672 346884830 /nfs/dbraw/zinc/88/48/30/346884830.db2.gz WUODRPNNAUIYHS-NSHDSACASA-N 0 3 190.290 2.188 10 30 AEEEHN CC(C)CCCN1CC(CC#N)C1 597202738 346884962 /nfs/dbraw/zinc/88/49/62/346884962.db2.gz BPHCNXGLUKMEIW-UHFFFAOYSA-N 0 3 180.295 2.268 10 30 AEEEHN CC1(CN2CC(CC#N)C2)CCC1 597203181 346885410 /nfs/dbraw/zinc/88/54/10/346885410.db2.gz HLSRJUOFWNMEFQ-UHFFFAOYSA-N 0 3 178.279 2.022 10 30 AEEEHN CC(C)(C)CCN1CC(CC#N)C1 597202904 346885474 /nfs/dbraw/zinc/88/54/74/346885474.db2.gz FHDNTLZFYAKQNZ-UHFFFAOYSA-N 0 3 180.295 2.268 10 30 AEEEHN CCC[C@H](C)CN1CC(CC#N)C1 597203172 346885639 /nfs/dbraw/zinc/88/56/39/346885639.db2.gz HFWTVWRHIWJHMF-JTQLQIEISA-N 0 3 180.295 2.268 10 30 AEEEHN CCC[C@@H](C)CN1CC(CC#N)C1 597203173 346885649 /nfs/dbraw/zinc/88/56/49/346885649.db2.gz HFWTVWRHIWJHMF-SNVBAGLBSA-N 0 3 180.295 2.268 10 30 AEEEHN CCC(C)(C)[C@H](C)NC(=O)C(C)C#N 597952372 346893493 /nfs/dbraw/zinc/89/34/93/346893493.db2.gz RGPMONASQNEOLR-IUCAKERBSA-N 0 3 196.294 2.087 10 30 AEEEHN CCC(C)(C)[C@H](C)NC(=O)C(C)C#N 597952370 346893536 /nfs/dbraw/zinc/89/35/36/346893536.db2.gz RGPMONASQNEOLR-BDAKNGLRSA-N 0 3 196.294 2.087 10 30 AEEEHN CCC(C)(C)[C@@H](C)NC(=O)C(C)C#N 597952371 346893619 /nfs/dbraw/zinc/89/36/19/346893619.db2.gz RGPMONASQNEOLR-DTWKUNHWSA-N 0 3 196.294 2.087 10 30 AEEEHN CCC(C)(C)[C@@H](C)NC(=O)C(C)C#N 597952373 346893777 /nfs/dbraw/zinc/89/37/77/346893777.db2.gz RGPMONASQNEOLR-RKDXNWHRSA-N 0 3 196.294 2.087 10 30 AEEEHN C=CC[C@H]1CCN(CC2(C#N)CC2)C1 599529776 346904822 /nfs/dbraw/zinc/90/48/22/346904822.db2.gz PKAYOVBNCBGKJI-NSHDSACASA-N 0 3 190.290 2.188 10 30 AEEEHN C=CC[C@@H]1CCN(CC2(C#N)CC2)C1 599529775 346904949 /nfs/dbraw/zinc/90/49/49/346904949.db2.gz PKAYOVBNCBGKJI-LLVKDONJSA-N 0 3 190.290 2.188 10 30 AEEEHN C=CC(C)(C)CCNCCC#N 600745723 346916369 /nfs/dbraw/zinc/91/63/69/346916369.db2.gz PTBWCYQBKAAQFD-UHFFFAOYSA-N 0 3 166.268 2.092 10 30 AEEEHN N#CCCNCC[C@@H]1CC=CCC1 600759403 346916529 /nfs/dbraw/zinc/91/65/29/346916529.db2.gz CYKCYJNNWJFLJK-LLVKDONJSA-N 0 3 178.279 2.236 10 30 AEEEHN N#CCCNC[C@H]1CCCC12CC2 600761787 346916569 /nfs/dbraw/zinc/91/65/69/346916569.db2.gz SCEKDASCJHQPHT-SNVBAGLBSA-N 0 3 178.279 2.070 10 30 AEEEHN N#CCCNC[C@@H]1CCCC12CC2 600761785 346916650 /nfs/dbraw/zinc/91/66/50/346916650.db2.gz SCEKDASCJHQPHT-JTQLQIEISA-N 0 3 178.279 2.070 10 30 AEEEHN N#CCCNCC[C@H]1CC=CCC1 600759409 346916835 /nfs/dbraw/zinc/91/68/35/346916835.db2.gz CYKCYJNNWJFLJK-NSHDSACASA-N 0 3 178.279 2.236 10 30 AEEEHN CC(C)(F)CN[C@@H]1CC[C@@H](C#N)C1 601288458 346922989 /nfs/dbraw/zinc/92/29/89/346922989.db2.gz YIRZQAKWNLAKFL-RKDXNWHRSA-N 0 3 184.258 2.016 10 30 AEEEHN CC(C)(F)CN[C@H]1CCC[C@@H](C#N)C1 601288287 346923011 /nfs/dbraw/zinc/92/30/11/346923011.db2.gz SPXQBTCYPFCQQV-ZJUUUORDSA-N 0 3 198.285 2.406 10 30 AEEEHN CC(C)(F)CN[C@H]1CC[C@H](C#N)C1 601288457 346923017 /nfs/dbraw/zinc/92/30/17/346923017.db2.gz YIRZQAKWNLAKFL-IUCAKERBSA-N 0 3 184.258 2.016 10 30 AEEEHN CC(C)(F)CN[C@H]1CCC[C@H](C#N)C1 601288285 346923213 /nfs/dbraw/zinc/92/32/13/346923213.db2.gz SPXQBTCYPFCQQV-UWVGGRQHSA-N 0 3 198.285 2.406 10 30 AEEEHN CC(C)(F)CN[C@H]1CC[C@@H](C#N)C1 601288455 346923223 /nfs/dbraw/zinc/92/32/23/346923223.db2.gz YIRZQAKWNLAKFL-BDAKNGLRSA-N 0 3 184.258 2.016 10 30 AEEEHN CC(C)(F)CN[C@@H]1CCC[C@@H](C#N)C1 601288284 346923262 /nfs/dbraw/zinc/92/32/62/346923262.db2.gz SPXQBTCYPFCQQV-NXEZZACHSA-N 0 3 198.285 2.406 10 30 AEEEHN CC(C)(F)CN[C@@H]1CC[C@H](C#N)C1 601288456 346923322 /nfs/dbraw/zinc/92/33/22/346923322.db2.gz YIRZQAKWNLAKFL-DTWKUNHWSA-N 0 3 184.258 2.016 10 30 AEEEHN CC(C)(F)CN[C@@H]1CCC[C@H](C#N)C1 601288286 346923378 /nfs/dbraw/zinc/92/33/78/346923378.db2.gz SPXQBTCYPFCQQV-VHSXEESVSA-N 0 3 198.285 2.406 10 30 AEEEHN CCC(C)(C)CCNC(=O)C(C)C#N 601745335 346924429 /nfs/dbraw/zinc/92/44/29/346924429.db2.gz WLYRXOASVVRFON-SECBINFHSA-N 0 3 196.294 2.089 10 30 AEEEHN CCC(C)(C)CCNC(=O)C(C)C#N 601745339 346924561 /nfs/dbraw/zinc/92/45/61/346924561.db2.gz WLYRXOASVVRFON-VIFPVBQESA-N 0 3 196.294 2.089 10 30 AEEEHN C=CCCC(C)(C)CNCCC#N 601969030 346927993 /nfs/dbraw/zinc/92/79/93/346927993.db2.gz RPBVLCYRGHURPK-UHFFFAOYSA-N 0 3 180.295 2.482 10 30 AEEEHN CCC(C)(C)CCNCCC#N 601970096 346928013 /nfs/dbraw/zinc/92/80/13/346928013.db2.gz XQFCRIORQRZDAR-UHFFFAOYSA-N 0 3 168.284 2.316 10 30 AEEEHN C[C@@H](C#N)CN(C)C[C@H](C)CCC#N 602446320 346931765 /nfs/dbraw/zinc/93/17/65/346931765.db2.gz BTPUIJODRZGSMP-MNOVXSKESA-N 0 3 193.294 2.018 10 30 AEEEHN C[C@H](C#N)CN(C)C[C@H](C)CCC#N 602446319 346931870 /nfs/dbraw/zinc/93/18/70/346931870.db2.gz BTPUIJODRZGSMP-GHMZBOCLSA-N 0 3 193.294 2.018 10 30 AEEEHN C[C@@H](CCC#N)CN(C)C[C@@H](C)C#N 602446321 346931895 /nfs/dbraw/zinc/93/18/95/346931895.db2.gz BTPUIJODRZGSMP-QWRGUYRKSA-N 0 3 193.294 2.018 10 30 AEEEHN C[C@H](C#N)CN(C)C[C@@H](C)CCC#N 602446322 346931941 /nfs/dbraw/zinc/93/19/41/346931941.db2.gz BTPUIJODRZGSMP-WDEREUQCSA-N 0 3 193.294 2.018 10 30 AEEEHN C[C@@H](CCC#N)CN(C)[C@H](C)CC#N 602461501 346932819 /nfs/dbraw/zinc/93/28/19/346932819.db2.gz GLNPGYUCKXHFQJ-WDEREUQCSA-N 0 3 193.294 2.160 10 30 AEEEHN C[C@H](CCC#N)CN(C)[C@H](C)CC#N 602461479 346932850 /nfs/dbraw/zinc/93/28/50/346932850.db2.gz GLNPGYUCKXHFQJ-GHMZBOCLSA-N 0 3 193.294 2.160 10 30 AEEEHN C[C@@H](CCC#N)CN(C)[C@@H](C)CC#N 602461500 346933080 /nfs/dbraw/zinc/93/30/80/346933080.db2.gz GLNPGYUCKXHFQJ-QWRGUYRKSA-N 0 3 193.294 2.160 10 30 AEEEHN C[C@@H](CC#N)N(C)C[C@H](C)CCC#N 602461498 346933206 /nfs/dbraw/zinc/93/32/06/346933206.db2.gz GLNPGYUCKXHFQJ-MNOVXSKESA-N 0 3 193.294 2.160 10 30 AEEEHN CC(C)(C#N)CNC[C@H]1C[C@@H]2C[C@@H]2C1 602612935 346938304 /nfs/dbraw/zinc/93/83/04/346938304.db2.gz JVNNWZZOAJJOIS-JGPRNRPPSA-N 0 3 192.306 2.172 10 30 AEEEHN CC(C)C1(CNCC2(C#N)CC2)CC1 602643743 346939258 /nfs/dbraw/zinc/93/92/58/346939258.db2.gz SNUWJERKVUSMPJ-UHFFFAOYSA-N 0 3 192.306 2.316 10 30 AEEEHN C=CCN(CC1(CC#N)CC1)C1CC1 602795525 346944366 /nfs/dbraw/zinc/94/43/66/346944366.db2.gz BFNWVTCYJDFUGZ-UHFFFAOYSA-N 0 3 190.290 2.331 10 30 AEEEHN N#CCC1(CN2C[C@H]3CCC[C@@H]32)CC1 602792967 346944380 /nfs/dbraw/zinc/94/43/80/346944380.db2.gz NODOLODBSXZXKW-MNOVXSKESA-N 0 3 190.290 2.165 10 30 AEEEHN N#CCC1(CN2C[C@@H]3CCC[C@H]32)CC1 602792970 346944419 /nfs/dbraw/zinc/94/44/19/346944419.db2.gz NODOLODBSXZXKW-WDEREUQCSA-N 0 3 190.290 2.165 10 30 AEEEHN N#CCC1(CN2C[C@@H]3CCC[C@@H]32)CC1 602792968 346944437 /nfs/dbraw/zinc/94/44/37/346944437.db2.gz NODOLODBSXZXKW-QWRGUYRKSA-N 0 3 190.290 2.165 10 30 AEEEHN N#CCC1(CN2C[C@H]3CCC[C@H]32)CC1 602792961 346944579 /nfs/dbraw/zinc/94/45/79/346944579.db2.gz NODOLODBSXZXKW-GHMZBOCLSA-N 0 3 190.290 2.165 10 30 AEEEHN C[C@H]1CN(CC2(CC#N)CC2)[C@@H]1C 602830220 346945410 /nfs/dbraw/zinc/94/54/10/346945410.db2.gz AUUZGLUVCTZRBB-VHSXEESVSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H]1CN(CC2(CC#N)CC2)[C@H]1C 602830218 346945419 /nfs/dbraw/zinc/94/54/19/346945419.db2.gz AUUZGLUVCTZRBB-UWVGGRQHSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H]1[C@H](C)CN1CC1(CC#N)CC1 602830221 346945478 /nfs/dbraw/zinc/94/54/78/346945478.db2.gz AUUZGLUVCTZRBB-ZJUUUORDSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@@H]1CN(CC2(CC#N)CC2)[C@@H]1C 602830217 346945571 /nfs/dbraw/zinc/94/55/71/346945571.db2.gz AUUZGLUVCTZRBB-NXEZZACHSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H](CC#N)NCCCCCF 602868873 346946417 /nfs/dbraw/zinc/94/64/17/346946417.db2.gz DTYFOMWCGOWPHO-SECBINFHSA-N 0 3 172.247 2.018 10 30 AEEEHN C[C@@H](CC#N)NCCCCCF 602868874 346946851 /nfs/dbraw/zinc/94/68/51/346946851.db2.gz DTYFOMWCGOWPHO-VIFPVBQESA-N 0 3 172.247 2.018 10 30 AEEEHN N#CCC1(CN(C2CC2)C2CC2)CC1 602914777 346948686 /nfs/dbraw/zinc/94/86/86/346948686.db2.gz HZXVPPYUOXHOCD-UHFFFAOYSA-N 0 3 190.290 2.307 10 30 AEEEHN C=CCCN(C)[C@H]1CCC[C@H]1C#N 602977476 346949091 /nfs/dbraw/zinc/94/90/91/346949091.db2.gz BQOMSOSGDFSRHI-QWRGUYRKSA-N 0 3 178.279 2.187 10 30 AEEEHN C=CCN(C)Cc1ccc(C#N)cc1 603585400 346956589 /nfs/dbraw/zinc/95/65/89/346956589.db2.gz HKKCFVDMQPFWDE-UHFFFAOYSA-N 0 3 186.258 2.176 10 30 AEEEHN C=CCCCN(C)Cc1cc(C)no1 605740667 346972941 /nfs/dbraw/zinc/97/29/41/346972941.db2.gz GXAXPQXUFVCJQL-UHFFFAOYSA-N 0 3 194.278 2.381 10 30 AEEEHN C=CCCCN(C)Cc1ccccn1 605737399 346972992 /nfs/dbraw/zinc/97/29/92/346972992.db2.gz AFVVJWVXKBSMKT-UHFFFAOYSA-N 0 3 190.290 2.480 10 30 AEEEHN C=CCCN(C)Cc1c(C)noc1C 606895923 346984871 /nfs/dbraw/zinc/98/48/71/346984871.db2.gz GFDXPGAYVWUQBR-UHFFFAOYSA-N 0 3 194.278 2.299 10 30 AEEEHN CC#CCN(C)Cc1cccc(C)c1 607727319 346992741 /nfs/dbraw/zinc/99/27/41/346992741.db2.gz AEPBPVRQJURATK-UHFFFAOYSA-N 0 3 187.286 2.450 10 30 AEEEHN CC#CCN(C)CCc1ccccc1 607726882 346992750 /nfs/dbraw/zinc/99/27/50/346992750.db2.gz CTYLYFYEERLNHX-UHFFFAOYSA-N 0 3 187.286 2.184 10 30 AEEEHN CC#CCN(C)C1Cc2ccccc2C1 607727461 346992887 /nfs/dbraw/zinc/99/28/87/346992887.db2.gz HAFSQLHHXDMARH-UHFFFAOYSA-N 0 3 199.297 2.109 10 30 AEEEHN C=CCCCN(C)Cc1ccncc1 607753805 346997348 /nfs/dbraw/zinc/99/73/48/346997348.db2.gz JDZLNRSNVWRWJE-UHFFFAOYSA-N 0 3 190.290 2.480 10 30 AEEEHN C=C(C)CN1CCS[C@H](CC)C1 608510523 347009679 /nfs/dbraw/zinc/00/96/79/347009679.db2.gz GISOUQPQXPOMQR-SNVBAGLBSA-N 0 3 185.336 2.390 10 30 AEEEHN C=C(C)CN1CCS[C@@H](CC)C1 608510522 347009813 /nfs/dbraw/zinc/00/98/13/347009813.db2.gz GISOUQPQXPOMQR-JTQLQIEISA-N 0 3 185.336 2.390 10 30 AEEEHN CC#CCN1CCCC[C@H](SC)C1 610990444 347033203 /nfs/dbraw/zinc/03/32/03/347033203.db2.gz AAISJPNJPACRRD-NSHDSACASA-N 0 3 197.347 2.227 10 30 AEEEHN CC#CCN1CCCC[C@@H](SC)C1 610990443 347033755 /nfs/dbraw/zinc/03/37/55/347033755.db2.gz AAISJPNJPACRRD-LLVKDONJSA-N 0 3 197.347 2.227 10 30 AEEEHN CCCN(CC)Cc1ccc(C#N)o1 610930429 347033833 /nfs/dbraw/zinc/03/38/33/347033833.db2.gz YFKWIWJPXCBEMO-UHFFFAOYSA-N 0 3 192.262 2.383 10 30 AEEEHN C[C@@H]1CCN(CCCCC#N)C[C@H]1F 611502683 347039587 /nfs/dbraw/zinc/03/95/87/347039587.db2.gz XBVIRGDWRCOJIR-GHMZBOCLSA-N 0 3 198.285 2.360 10 30 AEEEHN C[C@H]1CCN(CCCCC#N)C[C@@H]1F 611502689 347039674 /nfs/dbraw/zinc/03/96/74/347039674.db2.gz XBVIRGDWRCOJIR-QWRGUYRKSA-N 0 3 198.285 2.360 10 30 AEEEHN C[C@H]1CCN(CCCCC#N)C[C@H]1F 611502691 347039788 /nfs/dbraw/zinc/03/97/88/347039788.db2.gz XBVIRGDWRCOJIR-WDEREUQCSA-N 0 3 198.285 2.360 10 30 AEEEHN C[C@@H]1CCN(CCCCC#N)C[C@@H]1F 611502687 347039807 /nfs/dbraw/zinc/03/98/07/347039807.db2.gz XBVIRGDWRCOJIR-MNOVXSKESA-N 0 3 198.285 2.360 10 30 AEEEHN C[C@@H]1CN(CCC#N)[C@@H]2CCCC[C@H]12 611802005 347043194 /nfs/dbraw/zinc/04/31/94/347043194.db2.gz FXQBPNZZRYXUAG-IJLUTSLNSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H]1CN(CCC#N)[C@@H]2CCCC[C@@H]12 611801997 347043216 /nfs/dbraw/zinc/04/32/16/347043216.db2.gz FXQBPNZZRYXUAG-GRYCIOLGSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H]1CN(CCC#N)[C@H]2CCCC[C@H]12 611802007 347043447 /nfs/dbraw/zinc/04/34/47/347043447.db2.gz FXQBPNZZRYXUAG-UTUOFQBUSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H]1CN(CCC#N)[C@H]2CCCC[C@@H]12 611802008 347043499 /nfs/dbraw/zinc/04/34/99/347043499.db2.gz FXQBPNZZRYXUAG-WOPDTQHZSA-N 0 3 192.306 2.411 10 30 AEEEHN C=CCN1CCC(OCC(C)C)CC1 614364584 347070711 /nfs/dbraw/zinc/07/07/11/347070711.db2.gz NRPNTHZBHOJRSH-UHFFFAOYSA-N 0 3 197.322 2.309 10 30 AEEEHN C=CCN(C)CCC(C)(C)C#N 614578293 347072384 /nfs/dbraw/zinc/07/23/84/347072384.db2.gz BQVCUXYJVQFFKS-UHFFFAOYSA-N 0 3 166.268 2.044 10 30 AEEEHN C#C[C@](C)(COC)NCCC(C)(C)C 616568584 347095540 /nfs/dbraw/zinc/09/55/40/347095540.db2.gz CRDJHWSSIBSUJJ-GFCCVEGCSA-N 0 3 197.322 2.051 10 30 AEEEHN C#C[C@@](C)(COC)NCCC(C)(C)C 616568595 347096211 /nfs/dbraw/zinc/09/62/11/347096211.db2.gz CRDJHWSSIBSUJJ-LBPRGKRZSA-N 0 3 197.322 2.051 10 30 AEEEHN CN1CCC[C@@H]1c1ccc(C#N)cc1 616606324 347110941 /nfs/dbraw/zinc/11/09/41/347110941.db2.gz BOHGLKDJFUAJPT-GFCCVEGCSA-N 0 3 186.258 2.325 10 30 AEEEHN CN1CCC[C@H]1c1ccc(C#N)cc1 616606203 347111140 /nfs/dbraw/zinc/11/11/40/347111140.db2.gz BOHGLKDJFUAJPT-LBPRGKRZSA-N 0 3 186.258 2.325 10 30 AEEEHN CN1CCC[C@@H]1c1cccc(C#N)c1 616606977 347112062 /nfs/dbraw/zinc/11/20/62/347112062.db2.gz NSROFGLGNVTNJR-GFCCVEGCSA-N 0 3 186.258 2.325 10 30 AEEEHN CN1CCC[C@H]1c1cccc(C#N)c1 616606976 347112305 /nfs/dbraw/zinc/11/23/05/347112305.db2.gz NSROFGLGNVTNJR-LBPRGKRZSA-N 0 3 186.258 2.325 10 30 AEEEHN CC1(C#N)CCN(CC2(C)CC2)CC1 618818770 347193037 /nfs/dbraw/zinc/19/30/37/347193037.db2.gz CDYFUHLAUHZAGP-UHFFFAOYSA-N 0 3 192.306 2.412 10 30 AEEEHN N#CCC1CCN(CC2(F)CC2)CC1 619428717 347199643 /nfs/dbraw/zinc/19/96/43/347199643.db2.gz IPCOATJKNSMSSD-UHFFFAOYSA-N 0 3 196.269 2.114 10 30 AEEEHN C=CC(C)(C)CCNCc1ncc[nH]1 623592592 347258583 /nfs/dbraw/zinc/25/85/83/347258583.db2.gz TYJKYGJCNKGQLL-UHFFFAOYSA-N 0 3 193.294 2.102 10 30 AEEEHN C=CC[C@H]1CCN(Cc2ccno2)C1 625702219 347289884 /nfs/dbraw/zinc/28/98/84/347289884.db2.gz FPAHSGDANFDFEN-JTQLQIEISA-N 0 3 192.262 2.073 10 30 AEEEHN C=CC[C@@H]1CCN(Cc2ccno2)C1 625702220 347290062 /nfs/dbraw/zinc/29/00/62/347290062.db2.gz FPAHSGDANFDFEN-SNVBAGLBSA-N 0 3 192.262 2.073 10 30 AEEEHN C=CCCCN(C)Cc1cnc(C)o1 628180597 347309509 /nfs/dbraw/zinc/30/95/09/347309509.db2.gz VYQUFTMMMJEBOE-UHFFFAOYSA-N 0 3 194.278 2.381 10 30 AEEEHN C=CC[C@@H](C)NCc1oc(C)nc1C 628216054 347309734 /nfs/dbraw/zinc/30/97/34/347309734.db2.gz CUDYBCGAWZFJGN-MRVPVSSYSA-N 0 3 194.278 2.346 10 30 AEEEHN C=CC[C@@H](C)NCc1cnc(C)o1 628216025 347309909 /nfs/dbraw/zinc/30/99/09/347309909.db2.gz BXMPKIGDRQJGNF-MRVPVSSYSA-N 0 3 180.251 2.037 10 30 AEEEHN C=CC[C@H](C)NCc1oc(C)nc1C 628216055 347310176 /nfs/dbraw/zinc/31/01/76/347310176.db2.gz CUDYBCGAWZFJGN-QMMMGPOBSA-N 0 3 194.278 2.346 10 30 AEEEHN C=CC[C@H](C)NCc1cnc(C)o1 628216026 347310227 /nfs/dbraw/zinc/31/02/27/347310227.db2.gz BXMPKIGDRQJGNF-QMMMGPOBSA-N 0 3 180.251 2.037 10 30 AEEEHN C=CC[C@@H](CC)NCc1cnc(C)o1 628259153 347313978 /nfs/dbraw/zinc/31/39/78/347313978.db2.gz IXCXGVXRIHCUGN-SNVBAGLBSA-N 0 3 194.278 2.427 10 30 AEEEHN C=CC[C@H](CC)NCc1cnc(C)o1 628259152 347314056 /nfs/dbraw/zinc/31/40/56/347314056.db2.gz IXCXGVXRIHCUGN-JTQLQIEISA-N 0 3 194.278 2.427 10 30 AEEEHN C=CC(C)(C)CNCc1cnc(C)o1 628299206 347314936 /nfs/dbraw/zinc/31/49/36/347314936.db2.gz GUSFDTITQLAIHF-UHFFFAOYSA-N 0 3 194.278 2.285 10 30 AEEEHN C=C(C)c1cccc2c1CNC2 629729782 347357071 /nfs/dbraw/zinc/35/70/71/347357071.db2.gz DAKLVZNBTPWOKQ-UHFFFAOYSA-N 0 3 159.232 2.323 10 30 AEEEHN C=CCNCc1ccc(C(F)F)nc1 631032102 347375231 /nfs/dbraw/zinc/37/52/31/347375231.db2.gz TUQJDIVMUNYWKJ-UHFFFAOYSA-N 0 3 198.216 2.295 10 30 AEEEHN C=C1CCN(CCC[C@@H]2CCO2)CC1 638033029 347473049 /nfs/dbraw/zinc/47/30/49/347473049.db2.gz SIXUYJWNBBZUHL-GFCCVEGCSA-N 0 3 195.306 2.208 10 30 AEEEHN C=C1CCN(CCC[C@H]2CCO2)CC1 638033030 347473081 /nfs/dbraw/zinc/47/30/81/347473081.db2.gz SIXUYJWNBBZUHL-LBPRGKRZSA-N 0 3 195.306 2.208 10 30 AEEEHN C=C1CCN(C[C@H](CCC)OC)CC1 638030600 347473126 /nfs/dbraw/zinc/47/31/26/347473126.db2.gz AKQDRWOPNUAXAF-LBPRGKRZSA-N 0 3 197.322 2.454 10 30 AEEEHN C=C1CCN(C[C@@H](CCC)OC)CC1 638030596 347473174 /nfs/dbraw/zinc/47/31/74/347473174.db2.gz AKQDRWOPNUAXAF-GFCCVEGCSA-N 0 3 197.322 2.454 10 30 AEEEHN C=CCN(C[C@@H](CCC)OC)C1CC1 639057171 347499740 /nfs/dbraw/zinc/49/97/40/347499740.db2.gz DXJIPADUKSIRJQ-GFCCVEGCSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCN(C[C@H](CCC)OC)C1CC1 639057172 347500186 /nfs/dbraw/zinc/50/01/86/347500186.db2.gz DXJIPADUKSIRJQ-LBPRGKRZSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCCNCc1cc(C2CC2)no1 639307227 347509961 /nfs/dbraw/zinc/50/99/61/347509961.db2.gz RLCSXCYIGBFOIO-UHFFFAOYSA-N 0 3 192.262 2.218 10 30 AEEEHN C=CCC[C@@H](CC)NCc1ncc[nH]1 639369700 347514334 /nfs/dbraw/zinc/51/43/34/347514334.db2.gz AWQMZNYYHVKWBI-SNVBAGLBSA-N 0 3 193.294 2.244 10 30 AEEEHN C=CCC[C@H](CC)NCc1ncc[nH]1 639369694 347514712 /nfs/dbraw/zinc/51/47/12/347514712.db2.gz AWQMZNYYHVKWBI-JTQLQIEISA-N 0 3 193.294 2.244 10 30 AEEEHN C=C(C)CN(C)C[C@H]1CC(C)(C)CO1 639570610 347524478 /nfs/dbraw/zinc/52/44/78/347524478.db2.gz CYDFOXCNXRHKTR-LLVKDONJSA-N 0 3 197.322 2.309 10 30 AEEEHN C=C(C)CN(C)C[C@@H]1CC(C)(C)CO1 639570611 347525908 /nfs/dbraw/zinc/52/59/08/347525908.db2.gz CYDFOXCNXRHKTR-NSHDSACASA-N 0 3 197.322 2.309 10 30 AEEEHN C=C(C)CN1CCC[C@@H]1c1cn[nH]c1 639777667 347534960 /nfs/dbraw/zinc/53/49/60/347534960.db2.gz FQYGIMAKVFEEGH-LLVKDONJSA-N 0 3 191.278 2.123 10 30 AEEEHN CC#CCN1CCC(CCF)CC1 639988267 347541835 /nfs/dbraw/zinc/54/18/35/347541835.db2.gz AZGMFYUOSNHNHW-UHFFFAOYSA-N 0 3 183.270 2.081 10 30 AEEEHN C=CCN1CCC(CCF)CC1 639987487 347542048 /nfs/dbraw/zinc/54/20/48/347542048.db2.gz KIPJTEVAWIPSJU-UHFFFAOYSA-N 0 3 171.259 2.244 10 30 AEEEHN CCC(C#N)C(=O)c1ccc(C)o1 36916074 351461312 /nfs/dbraw/zinc/46/13/12/351461312.db2.gz HLZYRLSDHUNZSQ-QMMMGPOBSA-N 0 3 177.203 2.321 10 30 AEEEHN CCC(C#N)C(=O)c1occc1C 36915912 351461071 /nfs/dbraw/zinc/46/10/71/351461071.db2.gz OGTRNTCIBBKKHQ-QMMMGPOBSA-N 0 3 177.203 2.321 10 30 AEEEHN CCC(C#N)C(=O)c1ccoc1 36915914 351461262 /nfs/dbraw/zinc/46/12/62/351461262.db2.gz VFKPWWNFXGKENM-ZETCQYMHSA-N 0 3 163.176 2.012 10 30 AEEEHN CCC(C#N)C(=O)C1CCCC1 36916094 351461269 /nfs/dbraw/zinc/46/12/69/351461269.db2.gz STQPYMXIKOTNOF-QMMMGPOBSA-N 0 3 165.236 2.295 10 30 AEEEHN CCC(C#N)C(=O)c1cccs1 36916048 351461326 /nfs/dbraw/zinc/46/13/26/351461326.db2.gz RAURFQPBOKXBPD-ZETCQYMHSA-N 0 3 179.244 2.481 10 30 AEEEHN CCC(C#N)C(=O)C(C)(C)C 36915998 351461479 /nfs/dbraw/zinc/46/14/79/351461479.db2.gz IFRCIPCFEYIYEO-ZETCQYMHSA-N 0 3 153.225 2.151 10 30 AEEEHN CC(C)CN(C)[C@H]1CCC[C@@H]1C#N 37147187 351463537 /nfs/dbraw/zinc/46/35/37/351463537.db2.gz MJMKSBMICFUCQU-MNOVXSKESA-N 0 3 180.295 2.266 10 30 AEEEHN CC(C)CN(C)[C@@H]1CCC[C@@H]1C#N 37147186 351463562 /nfs/dbraw/zinc/46/35/62/351463562.db2.gz MJMKSBMICFUCQU-GHMZBOCLSA-N 0 3 180.295 2.266 10 30 AEEEHN C[C@@H]1C[C@H]1NCC#Cc1ccccc1 52277620 351565526 /nfs/dbraw/zinc/56/55/26/351565526.db2.gz MTYQZGNUHAERAR-DGCLKSJQSA-N 0 3 185.270 2.036 10 30 AEEEHN C[C@@H]1C[C@@H]1NCC#Cc1ccccc1 52277615 351565595 /nfs/dbraw/zinc/56/55/95/351565595.db2.gz MTYQZGNUHAERAR-YPMHNXCESA-N 0 3 185.270 2.036 10 30 AEEEHN C[C@@H]1C[C@H]1NCc1ccccc1C#N 52288202 351565886 /nfs/dbraw/zinc/56/58/86/351565886.db2.gz LUMZTGXKUMEKFJ-BXKDBHETSA-N 0 3 186.258 2.056 10 30 AEEEHN CC(C)CN[C@@H]1CCCC[C@@H]1C#N 54822855 351574788 /nfs/dbraw/zinc/57/47/88/351574788.db2.gz VDWCVCPHMHKOLG-GHMZBOCLSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)CN[C@H]1CCCC[C@H]1C#N 54822858 351574938 /nfs/dbraw/zinc/57/49/38/351574938.db2.gz VDWCVCPHMHKOLG-QWRGUYRKSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)CCN[C@H]1CCC[C@H]1C#N 54823608 351575023 /nfs/dbraw/zinc/57/50/23/351575023.db2.gz OKVMGMSYIVOVBI-QWRGUYRKSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)CN[C@@H]1CCCC[C@H]1C#N 54822857 351575280 /nfs/dbraw/zinc/57/52/80/351575280.db2.gz VDWCVCPHMHKOLG-WDEREUQCSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)CN[C@H]1CCCC[C@@H]1C#N 54822856 351575422 /nfs/dbraw/zinc/57/54/22/351575422.db2.gz VDWCVCPHMHKOLG-MNOVXSKESA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)CCN[C@H]1CCC[C@@H]1C#N 54823606 351575441 /nfs/dbraw/zinc/57/54/41/351575441.db2.gz OKVMGMSYIVOVBI-MNOVXSKESA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)CCN[C@@H]1CCC[C@@H]1C#N 54823605 351575522 /nfs/dbraw/zinc/57/55/22/351575522.db2.gz OKVMGMSYIVOVBI-GHMZBOCLSA-N 0 3 180.295 2.314 10 30 AEEEHN CC(C)CCN[C@@H]1CCC[C@H]1C#N 54823607 351575670 /nfs/dbraw/zinc/57/56/70/351575670.db2.gz OKVMGMSYIVOVBI-WDEREUQCSA-N 0 3 180.295 2.314 10 30 AEEEHN C[C@H]1CCCCCN1CCC#N 69944838 351600731 /nfs/dbraw/zinc/60/07/31/351600731.db2.gz IRNRLHDCKPTBGH-JTQLQIEISA-N 0 3 166.268 2.165 10 30 AEEEHN C[C@@H]1CCCCCN1CCC#N 69944837 351600972 /nfs/dbraw/zinc/60/09/72/351600972.db2.gz IRNRLHDCKPTBGH-SNVBAGLBSA-N 0 3 166.268 2.165 10 30 AEEEHN C=C(CC)CN1CCC(C#N)CC1 85059127 351652595 /nfs/dbraw/zinc/65/25/95/351652595.db2.gz DHEHYKOVATXRSD-UHFFFAOYSA-N 0 3 178.279 2.188 10 30 AEEEHN CC1(C)CCC[C@@H]1NCCC#N 86856045 351655723 /nfs/dbraw/zinc/65/57/23/351655723.db2.gz ABYOBNMXWIVZHX-VIFPVBQESA-N 0 3 166.268 2.068 10 30 AEEEHN CC1(C)CCC[C@H]1NCCC#N 86856046 351656315 /nfs/dbraw/zinc/65/63/15/351656315.db2.gz ABYOBNMXWIVZHX-SECBINFHSA-N 0 3 166.268 2.068 10 30 AEEEHN CC1CC(N[C@H]2CCC[C@@H]2C#N)C1 162480009 351760614 /nfs/dbraw/zinc/76/06/14/351760614.db2.gz XESAGYBJWKNCLQ-DJRKXVOMSA-N 0 3 178.279 2.067 10 30 AEEEHN C=C(C)NCc1ccccc1 104707276 351715425 /nfs/dbraw/zinc/71/54/25/351715425.db2.gz FFYBBYJEASDGOH-UHFFFAOYSA-N 0 3 147.221 2.310 10 30 AEEEHN CC(C)N1CCC(C)(C#N)CC1 148798275 351748995 /nfs/dbraw/zinc/74/89/95/351748995.db2.gz HVXMTARLXJMKHL-UHFFFAOYSA-N 0 3 166.268 2.020 10 30 AEEEHN CC1CC(N[C@@H]2CCC[C@H]2C#N)C1 162480147 351760293 /nfs/dbraw/zinc/76/02/93/351760293.db2.gz XESAGYBJWKNCLQ-QONHTCSSSA-N 0 3 178.279 2.067 10 30 AEEEHN CC1CC(N[C@H]2CCC[C@H]2C#N)C1 162480270 351760403 /nfs/dbraw/zinc/76/04/03/351760403.db2.gz XESAGYBJWKNCLQ-YIYTYNFBSA-N 0 3 178.279 2.067 10 30 AEEEHN CC1CC(N[C@@H]2CCC[C@@H]2C#N)C1 162479874 351760696 /nfs/dbraw/zinc/76/06/96/351760696.db2.gz XESAGYBJWKNCLQ-VGRIYTJTSA-N 0 3 178.279 2.067 10 30 AEEEHN CC1(CN[C@@H]2CCC[C@H]2C#N)CCC1 224434203 351796176 /nfs/dbraw/zinc/79/61/76/351796176.db2.gz YUMHBHYHYZZLKC-WDEREUQCSA-N 0 3 192.306 2.458 10 30 AEEEHN CC1(CN[C@@H]2CCC[C@@H]2C#N)CCC1 224434144 351796229 /nfs/dbraw/zinc/79/62/29/351796229.db2.gz YUMHBHYHYZZLKC-GHMZBOCLSA-N 0 3 192.306 2.458 10 30 AEEEHN CC1(CN[C@H]2CCC[C@@H]2C#N)CCC1 224434176 351796419 /nfs/dbraw/zinc/79/64/19/351796419.db2.gz YUMHBHYHYZZLKC-MNOVXSKESA-N 0 3 192.306 2.458 10 30 AEEEHN CCNCC#Cc1ccc(C)s1 229454491 351807847 /nfs/dbraw/zinc/80/78/47/351807847.db2.gz XITULQGSDVLPAF-UHFFFAOYSA-N 0 3 179.288 2.018 10 30 AEEEHN CCNCC#Cc1csc(C)c1 229454262 351807854 /nfs/dbraw/zinc/80/78/54/351807854.db2.gz YSZQHGKIGWYOQA-UHFFFAOYSA-N 0 3 179.288 2.018 10 30 AEEEHN CNCC#Cc1cc(C)c(C)cc1C 229454205 351807902 /nfs/dbraw/zinc/80/79/02/351807902.db2.gz AKHKESGXUKZTMU-UHFFFAOYSA-N 0 3 187.286 2.183 10 30 AEEEHN CC1CCN(CC2(C#N)CCC2)CC1 258554857 351864417 /nfs/dbraw/zinc/86/44/17/351864417.db2.gz AYCXISJYDYMUIG-UHFFFAOYSA-N 0 3 192.306 2.412 10 30 AEEEHN CN(CC(C)(C)C#N)C1CCCC1 258848781 351867443 /nfs/dbraw/zinc/86/74/43/351867443.db2.gz DCKCIMIFIAKGTH-UHFFFAOYSA-N 0 3 180.295 2.411 10 30 AEEEHN N#CC[C@@H](C1CC1)N1CCCCC1 259622849 351876575 /nfs/dbraw/zinc/87/65/75/351876575.db2.gz GXNOGZPHBNAISO-NSHDSACASA-N 0 3 178.279 2.165 10 30 AEEEHN N#CC[C@H](C1CC1)N1CCCCC1 259622847 351877117 /nfs/dbraw/zinc/87/71/17/351877117.db2.gz GXNOGZPHBNAISO-LLVKDONJSA-N 0 3 178.279 2.165 10 30 AEEEHN N#C[C@@H](CN1CCCCCC1)C1CC1 260630593 351886270 /nfs/dbraw/zinc/88/62/70/351886270.db2.gz WFIJOOXCUQDREW-LBPRGKRZSA-N 0 3 192.306 2.412 10 30 AEEEHN N#CCCCN1CCCC2(CC2)C1 306303598 351918489 /nfs/dbraw/zinc/91/84/89/351918489.db2.gz BCNCMVSNWKBBAX-UHFFFAOYSA-N 0 3 178.279 2.166 10 30 AEEEHN C=CCCN1C[C@@H](C)OC(C)(C)C1 306384015 351924876 /nfs/dbraw/zinc/92/48/76/351924876.db2.gz CTVQGYJKFQZQCB-SNVBAGLBSA-N 0 3 183.295 2.062 10 30 AEEEHN C[C@@H]1CC[C@@H]1NCc1ccc(C#N)o1 306383957 351924942 /nfs/dbraw/zinc/92/49/42/351924942.db2.gz VWIXOTGMKBARRS-KCJUWKMLSA-N 0 3 190.246 2.039 10 30 AEEEHN C[C@@H]1CC[C@H]1NCc1ccc(C#N)o1 306383959 351924992 /nfs/dbraw/zinc/92/49/92/351924992.db2.gz VWIXOTGMKBARRS-LDYMZIIASA-N 0 3 190.246 2.039 10 30 AEEEHN C=CCCN1C[C@H](C)OC(C)(C)C1 306384013 351925066 /nfs/dbraw/zinc/92/50/66/351925066.db2.gz CTVQGYJKFQZQCB-JTQLQIEISA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCN1CCC[C@H]1c1ccc[nH]1 306483903 351935828 /nfs/dbraw/zinc/93/58/28/351935828.db2.gz FMZFIITZUSZFLO-NSHDSACASA-N 0 3 176.263 2.338 10 30 AEEEHN C=CCN1CCC[C@@H]1c1ccc[nH]1 306483901 351935840 /nfs/dbraw/zinc/93/58/40/351935840.db2.gz FMZFIITZUSZFLO-LLVKDONJSA-N 0 3 176.263 2.338 10 30 AEEEHN C=C(C)CCN1[C@@H](C)COC[C@@H]1C 306569874 351946634 /nfs/dbraw/zinc/94/66/34/351946634.db2.gz LTPUBTPCYRWXDI-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(C)CCN1[C@@H](C)COC[C@H]1C 306569868 351946724 /nfs/dbraw/zinc/94/67/24/351946724.db2.gz LTPUBTPCYRWXDI-PHIMTYICSA-N 0 3 183.295 2.062 10 30 AEEEHN N#CCCN1C[C@@H]2CCCC[C@H]2C1 306598507 351949206 /nfs/dbraw/zinc/94/92/06/351949206.db2.gz PVLIGPJLSOUCAU-QWRGUYRKSA-N 0 3 178.279 2.022 10 30 AEEEHN N#CCCN1C[C@H]2CCCC[C@@H]2C1 306598505 351949213 /nfs/dbraw/zinc/94/92/13/351949213.db2.gz PVLIGPJLSOUCAU-GHMZBOCLSA-N 0 3 178.279 2.022 10 30 AEEEHN C=C(C)CCN1C[C@@H](C)O[C@H](C)C1 306607443 351949772 /nfs/dbraw/zinc/94/97/72/351949772.db2.gz UFSWSXLMBOOROK-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN CC[C@@H]1CC[C@H](C)N(CCC#N)C1 306612182 351950278 /nfs/dbraw/zinc/95/02/78/351950278.db2.gz IAASXCRTFVOEEP-WDEREUQCSA-N 0 3 180.295 2.411 10 30 AEEEHN C=C(C)CCN1C[C@H](C)O[C@@H](C)C1 306607445 351950366 /nfs/dbraw/zinc/95/03/66/351950366.db2.gz UFSWSXLMBOOROK-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@H](C)[C@@H]1C 306612815 351950855 /nfs/dbraw/zinc/95/08/55/351950855.db2.gz JIEBMVGXMBNKLI-CNUIFLNQSA-N 0 3 173.687 2.373 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@@H](C)[C@H]1C 306612816 351950895 /nfs/dbraw/zinc/95/08/95/351950895.db2.gz JIEBMVGXMBNKLI-FTLITQJKSA-N 0 3 173.687 2.373 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@@H](C)[C@@H]1C 306612814 351950947 /nfs/dbraw/zinc/95/09/47/351950947.db2.gz JIEBMVGXMBNKLI-BWVDBABLSA-N 0 3 173.687 2.373 10 30 AEEEHN C=C(Cl)CN[C@@H]1C[C@H](C)[C@H]1C 306612817 351950997 /nfs/dbraw/zinc/95/09/97/351950997.db2.gz JIEBMVGXMBNKLI-NBEYISGCSA-N 0 3 173.687 2.373 10 30 AEEEHN C=CCN1CCC(C(F)F)CC1 306631703 351952284 /nfs/dbraw/zinc/95/22/84/351952284.db2.gz AEVPWRGXETWNTR-UHFFFAOYSA-N 0 3 175.222 2.150 10 30 AEEEHN C[C@H]1CCN(CC2(C#N)CC2)[C@H]1C 306746201 351960933 /nfs/dbraw/zinc/96/09/33/351960933.db2.gz DFXXVQYGJLFEAU-UWVGGRQHSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H]1CCN(CC2(C#N)CC2)[C@@H]1C 306746205 351960983 /nfs/dbraw/zinc/96/09/83/351960983.db2.gz DFXXVQYGJLFEAU-VHSXEESVSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@@H]1CCN(CC2(C#N)CC2)[C@@H]1C 306746198 351960994 /nfs/dbraw/zinc/96/09/94/351960994.db2.gz DFXXVQYGJLFEAU-NXEZZACHSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@@H]1C[C@@H](C)N1CCC(C)(C)C#N 306782843 351964416 /nfs/dbraw/zinc/96/44/16/351964416.db2.gz GFEWLKJMXDUTAQ-NXEZZACHSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@H]1C[C@@H](C)N1CCC(C)(C)C#N 306782834 351964568 /nfs/dbraw/zinc/96/45/68/351964568.db2.gz GFEWLKJMXDUTAQ-AOOOYVTPSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@H]1C[C@H](C)N1CCC(C)(C)C#N 306782852 351964772 /nfs/dbraw/zinc/96/47/72/351964772.db2.gz GFEWLKJMXDUTAQ-UWVGGRQHSA-N 0 3 180.295 2.409 10 30 AEEEHN C=C(CC)CN1CCSCC1 306923641 351974291 /nfs/dbraw/zinc/97/42/91/351974291.db2.gz GKOURLZCGPQOLN-UHFFFAOYSA-N 0 3 171.309 2.001 10 30 AEEEHN N#CCCN[C@@H]1CC2CCC1CC2 307143481 351989980 /nfs/dbraw/zinc/98/99/80/351989980.db2.gz LBOQNMLLYPIYRY-VQXHTEKXSA-N 0 3 178.279 2.068 10 30 AEEEHN N#CCCN[C@H]1CC2CCC1CC2 307143479 351990158 /nfs/dbraw/zinc/99/01/58/351990158.db2.gz LBOQNMLLYPIYRY-ILDUYXDCSA-N 0 3 178.279 2.068 10 30 AEEEHN CC1=C[C@@H](C)CN(CCCC#N)C1 307213517 351995941 /nfs/dbraw/zinc/99/59/41/351995941.db2.gz XXIFFXAACOPEFH-SNVBAGLBSA-N 0 3 178.279 2.188 10 30 AEEEHN CC1=C[C@H](C)CN(CCCC#N)C1 307213516 351996075 /nfs/dbraw/zinc/99/60/75/351996075.db2.gz XXIFFXAACOPEFH-JTQLQIEISA-N 0 3 178.279 2.188 10 30 AEEEHN CN(CCC#N)C1(C)CCCC1 307676424 352030581 /nfs/dbraw/zinc/03/05/81/352030581.db2.gz HISRWVWZFIGZFL-UHFFFAOYSA-N 0 3 166.268 2.165 10 30 AEEEHN C=C1CCN(Cc2cc[nH]c2)CC1 307709076 352033965 /nfs/dbraw/zinc/03/39/65/352033965.db2.gz LAZLIIJLDGSDGX-UHFFFAOYSA-N 0 3 176.263 2.167 10 30 AEEEHN CC1(C)CCCN1CC1(C#N)CC1 307725413 352036206 /nfs/dbraw/zinc/03/62/06/352036206.db2.gz BABJIRJXQJHXFW-UHFFFAOYSA-N 0 3 178.279 2.165 10 30 AEEEHN C=CCCCNCc1oc(C)nc1C 311645340 352054978 /nfs/dbraw/zinc/05/49/78/352054978.db2.gz AUTWPJVQSKWLGI-UHFFFAOYSA-N 0 3 194.278 2.347 10 30 AEEEHN CC[C@@H]1C[C@H](C)CN1CC1(C#N)CC1 334303843 352062401 /nfs/dbraw/zinc/06/24/01/352062401.db2.gz FTHNWJMWUZVMCC-WDEREUQCSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@H]1C[C@@H](C)CN1CC1(C#N)CC1 334303840 352062776 /nfs/dbraw/zinc/06/27/76/352062776.db2.gz FTHNWJMWUZVMCC-MNOVXSKESA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@@H]1C[C@@H](C)CN1CC1(C#N)CC1 334303836 352063022 /nfs/dbraw/zinc/06/30/22/352063022.db2.gz FTHNWJMWUZVMCC-GHMZBOCLSA-N 0 3 192.306 2.411 10 30 AEEEHN CC[C@H]1C[C@H](C)CN1CC1(C#N)CC1 334303841 352063101 /nfs/dbraw/zinc/06/31/01/352063101.db2.gz FTHNWJMWUZVMCC-QWRGUYRKSA-N 0 3 192.306 2.411 10 30 AEEEHN C=C(C)CN1CCC[C@](C)(F)C1 334625127 352077316 /nfs/dbraw/zinc/07/73/16/352077316.db2.gz WHXATXFXTIBBEY-JTQLQIEISA-N 0 3 171.259 2.387 10 30 AEEEHN C=C(C)CN1CCC[C@@](C)(F)C1 334625128 352077697 /nfs/dbraw/zinc/07/76/97/352077697.db2.gz WHXATXFXTIBBEY-SNVBAGLBSA-N 0 3 171.259 2.387 10 30 AEEEHN C[C@H]1[C@H](C)CCN1CC1(C#N)CCC1 334651062 352078021 /nfs/dbraw/zinc/07/80/21/352078021.db2.gz FZYJDAWNMGVYAT-MNOVXSKESA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@H]1CCN(CC2(C#N)CCC2)[C@H]1C 334651066 352078098 /nfs/dbraw/zinc/07/80/98/352078098.db2.gz FZYJDAWNMGVYAT-QWRGUYRKSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@@H]1CCN(CC2(C#N)CCC2)[C@@H]1C 334651059 352078263 /nfs/dbraw/zinc/07/82/63/352078263.db2.gz FZYJDAWNMGVYAT-GHMZBOCLSA-N 0 3 192.306 2.411 10 30 AEEEHN C[C@H]1CCN(CC2(C#N)CCC2)[C@@H]1C 334651068 352078303 /nfs/dbraw/zinc/07/83/03/352078303.db2.gz FZYJDAWNMGVYAT-WDEREUQCSA-N 0 3 192.306 2.411 10 30 AEEEHN CC(C)(C#N)CCN1C[C@@H]2CCC[C@H]21 334677475 352079103 /nfs/dbraw/zinc/07/91/03/352079103.db2.gz LKZKSQMXEJXMKG-WDEREUQCSA-N 0 3 192.306 2.411 10 30 AEEEHN CC(C)(C#N)CCN1C[C@H]2CCC[C@@H]21 334677473 352079254 /nfs/dbraw/zinc/07/92/54/352079254.db2.gz LKZKSQMXEJXMKG-MNOVXSKESA-N 0 3 192.306 2.411 10 30 AEEEHN C=C(C)CN1CCOC[C@@H]1C1CCC1 335446300 352098291 /nfs/dbraw/zinc/09/82/91/352098291.db2.gz HQYCWMXGWDMTEK-GFCCVEGCSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CN1CCOC[C@H]1C1CCC1 335446302 352098297 /nfs/dbraw/zinc/09/82/97/352098297.db2.gz HQYCWMXGWDMTEK-LBPRGKRZSA-N 0 3 195.306 2.063 10 30 AEEEHN N#C[C@@H]1CC[C@H](NC2(CF)CCC2)C1 335448912 352098675 /nfs/dbraw/zinc/09/86/75/352098675.db2.gz HSSARMQYVOGQRL-ZJUUUORDSA-N 0 3 196.269 2.160 10 30 AEEEHN N#C[C@@H]1CC[C@@H](NC2(CF)CCC2)C1 335448909 352098695 /nfs/dbraw/zinc/09/86/95/352098695.db2.gz HSSARMQYVOGQRL-NXEZZACHSA-N 0 3 196.269 2.160 10 30 AEEEHN N#C[C@H]1CC[C@H](NC2(CF)CCC2)C1 335448910 352098706 /nfs/dbraw/zinc/09/87/06/352098706.db2.gz HSSARMQYVOGQRL-UWVGGRQHSA-N 0 3 196.269 2.160 10 30 AEEEHN N#C[C@H]1CC[C@@H](NC2(CF)CCC2)C1 335448911 352098969 /nfs/dbraw/zinc/09/89/69/352098969.db2.gz HSSARMQYVOGQRL-VHSXEESVSA-N 0 3 196.269 2.160 10 30 AEEEHN C=C(CC)CN1C[C@@H]2C[C@H]1CS2 335584013 352104798 /nfs/dbraw/zinc/10/47/98/352104798.db2.gz NMPLJAKFTSJEAT-UWVGGRQHSA-N 0 3 183.320 2.142 10 30 AEEEHN C=C(CC)CN1CCOCC2(CC2)C1 335657710 352107732 /nfs/dbraw/zinc/10/77/32/352107732.db2.gz PAYGLYRSUHLAIF-UHFFFAOYSA-N 0 3 195.306 2.065 10 30 AEEEHN C=CC1CCN(Cc2ccno2)CC1 335669904 352108410 /nfs/dbraw/zinc/10/84/10/352108410.db2.gz GHTRNOXKEJCRDN-UHFFFAOYSA-N 0 3 192.262 2.073 10 30 AEEEHN C=C1CCN(CCSC)CC1 335831185 352114590 /nfs/dbraw/zinc/11/45/90/352114590.db2.gz YLTCAZUNKCJTAP-UHFFFAOYSA-N 0 3 171.309 2.001 10 30 AEEEHN C=CCN1CCC[C@H]1c1cccn1C 335926819 352118906 /nfs/dbraw/zinc/11/89/06/352118906.db2.gz BDGGLAFRMIXNSI-LBPRGKRZSA-N 0 3 190.290 2.348 10 30 AEEEHN C=CCN1CCC[C@@H]1c1cccn1C 335926818 352119158 /nfs/dbraw/zinc/11/91/58/352119158.db2.gz BDGGLAFRMIXNSI-GFCCVEGCSA-N 0 3 190.290 2.348 10 30 AEEEHN C=C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 336039810 352123593 /nfs/dbraw/zinc/12/35/93/352123593.db2.gz HBIXWPQXSTXMDT-VXGBXAGGSA-N 0 3 190.290 2.331 10 30 AEEEHN C=C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 336039807 352123630 /nfs/dbraw/zinc/12/36/30/352123630.db2.gz HBIXWPQXSTXMDT-NEPJUHHUSA-N 0 3 190.290 2.331 10 30 AEEEHN C=C1CCN([C@H]2CC[C@H](C#N)C2)CC1 336039809 352124012 /nfs/dbraw/zinc/12/40/12/352124012.db2.gz HBIXWPQXSTXMDT-RYUDHWBXSA-N 0 3 190.290 2.331 10 30 AEEEHN C=C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 336039808 352124032 /nfs/dbraw/zinc/12/40/32/352124032.db2.gz HBIXWPQXSTXMDT-NWDGAFQWSA-N 0 3 190.290 2.331 10 30 AEEEHN CC1(C)CCN(CC2(C#N)CCC2)C1 336192338 352128719 /nfs/dbraw/zinc/12/87/19/352128719.db2.gz HGKFHRUETCCHTO-UHFFFAOYSA-N 0 3 192.306 2.412 10 30 AEEEHN C[C@H]1CN(CC2(C#N)CCC2)C[C@@H]1C 336194666 352129274 /nfs/dbraw/zinc/12/92/74/352129274.db2.gz XCDVULVOVOXYHO-QWRGUYRKSA-N 0 3 192.306 2.268 10 30 AEEEHN C[C@@H]1CN(CC2(C#N)CCC2)C[C@@H]1C 336194665 352129314 /nfs/dbraw/zinc/12/93/14/352129314.db2.gz XCDVULVOVOXYHO-PHIMTYICSA-N 0 3 192.306 2.268 10 30 AEEEHN C[C@@H]1CN(CC2(C#N)CCC2)C[C@H]1C 336194664 352129383 /nfs/dbraw/zinc/12/93/83/352129383.db2.gz XCDVULVOVOXYHO-GHMZBOCLSA-N 0 3 192.306 2.268 10 30 AEEEHN C=CCCN1CCC[C@@](C)(F)C1 336270051 352133497 /nfs/dbraw/zinc/13/34/97/352133497.db2.gz FLAJTVGBEQCYEV-SNVBAGLBSA-N 0 3 171.259 2.387 10 30 AEEEHN CC#CCCN1CCC[C@@](C)(F)C1 336275347 352133646 /nfs/dbraw/zinc/13/36/46/352133646.db2.gz HCGMEEDFXUXQHR-LLVKDONJSA-N 0 3 183.270 2.224 10 30 AEEEHN C=CCCN1CCC[C@](C)(F)C1 336270050 352133931 /nfs/dbraw/zinc/13/39/31/352133931.db2.gz FLAJTVGBEQCYEV-JTQLQIEISA-N 0 3 171.259 2.387 10 30 AEEEHN CC#CCCN1CCC[C@](C)(F)C1 336275348 352133988 /nfs/dbraw/zinc/13/39/88/352133988.db2.gz HCGMEEDFXUXQHR-NSHDSACASA-N 0 3 183.270 2.224 10 30 AEEEHN N#CC1(CN2CCCC23CCC3)CC1 336318111 352135635 /nfs/dbraw/zinc/13/56/35/352135635.db2.gz VWLABHPRYSGZLG-UHFFFAOYSA-N 0 3 190.290 2.309 10 30 AEEEHN C=C(C)CN1CCC[C@@H]2COCC[C@H]21 336345810 352137733 /nfs/dbraw/zinc/13/77/33/352137733.db2.gz QVQJNWWSJIIXLW-VXGBXAGGSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CN1CCC[C@H]2COCC[C@H]21 336345808 352137851 /nfs/dbraw/zinc/13/78/51/352137851.db2.gz QVQJNWWSJIIXLW-NWDGAFQWSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CN1CCC[C@@H]2COCC[C@@H]21 336345807 352137871 /nfs/dbraw/zinc/13/78/71/352137871.db2.gz QVQJNWWSJIIXLW-NEPJUHHUSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CN1CCC[C@H]2COCC[C@@H]21 336345809 352137918 /nfs/dbraw/zinc/13/79/18/352137918.db2.gz QVQJNWWSJIIXLW-RYUDHWBXSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CN1CCCC[C@]1(C)C(N)=O 336448819 352141551 /nfs/dbraw/zinc/14/15/51/352141551.db2.gz YJLYQXYPLIJJOB-LLVKDONJSA-N 0 3 196.294 2.342 10 30 AEEEHN CC1=CCN([C@@H]2CC[C@H](C#N)C2)CC1 336466777 352142223 /nfs/dbraw/zinc/14/22/23/352142223.db2.gz HSMOATUSNAJXII-NWDGAFQWSA-N 0 3 190.290 2.331 10 30 AEEEHN CC1=CCN([C@H]2CC[C@@H](C#N)C2)CC1 336466776 352142489 /nfs/dbraw/zinc/14/24/89/352142489.db2.gz HSMOATUSNAJXII-NEPJUHHUSA-N 0 3 190.290 2.331 10 30 AEEEHN CC1=CCN([C@H]2CC[C@H](C#N)C2)CC1 336466778 352142263 /nfs/dbraw/zinc/14/22/63/352142263.db2.gz HSMOATUSNAJXII-RYUDHWBXSA-N 0 3 190.290 2.331 10 30 AEEEHN CC1=CCN([C@@H]2CC[C@@H](C#N)C2)CC1 336466779 352142358 /nfs/dbraw/zinc/14/23/58/352142358.db2.gz HSMOATUSNAJXII-VXGBXAGGSA-N 0 3 190.290 2.331 10 30 AEEEHN C=CCCN1CCOC2(CCCC2)C1 336463810 352142636 /nfs/dbraw/zinc/14/26/36/352142636.db2.gz GBFQRSSCIWICEH-UHFFFAOYSA-N 0 3 195.306 2.208 10 30 AEEEHN CC(C)[C@H]1CCN(CC2(C#N)CC2)C1 336603176 352150136 /nfs/dbraw/zinc/15/01/36/352150136.db2.gz RUZDMDCKGTYIOS-NSHDSACASA-N 0 3 192.306 2.268 10 30 AEEEHN CC(C)[C@@H]1CCN(CC2(C#N)CC2)C1 336603175 352150654 /nfs/dbraw/zinc/15/06/54/352150654.db2.gz RUZDMDCKGTYIOS-LLVKDONJSA-N 0 3 192.306 2.268 10 30 AEEEHN C=CCN1CCC(F)(F)C[C@@H]1C 528763230 352181985 /nfs/dbraw/zinc/18/19/85/352181985.db2.gz ARVGGGUEZOOIKO-QMMMGPOBSA-N 0 3 175.222 2.292 10 30 AEEEHN C=CCN1CCC(F)(F)C[C@H]1C 528763227 352182042 /nfs/dbraw/zinc/18/20/42/352182042.db2.gz ARVGGGUEZOOIKO-MRVPVSSYSA-N 0 3 175.222 2.292 10 30 AEEEHN C[C@@H](C#N)CN[C@H](C)[C@@H]1C[C@H]1C1CC1 529544237 352182563 /nfs/dbraw/zinc/18/25/63/352182563.db2.gz WNCYFMDNYOZRFE-QCMRWSPLSA-N 0 3 192.306 2.170 10 30 AEEEHN C[C@H](C#N)CN[C@@H](C)[C@@H]1C[C@H]1C1CC1 529544238 352182632 /nfs/dbraw/zinc/18/26/32/352182632.db2.gz WNCYFMDNYOZRFE-QCZKYFFMSA-N 0 3 192.306 2.170 10 30 AEEEHN N#Cc1ccccc1[C@H](N)CC(F)F 575437909 352202973 /nfs/dbraw/zinc/20/29/73/352202973.db2.gz YBJGUNXWHFJGHC-SECBINFHSA-N 0 3 196.200 2.213 10 30 AEEEHN N#Cc1ccccc1[C@@H](N)CC(F)F 575439924 352203940 /nfs/dbraw/zinc/20/39/40/352203940.db2.gz YBJGUNXWHFJGHC-VIFPVBQESA-N 0 3 196.200 2.213 10 30 AEEEHN C=C(Cl)C[C@H](N)c1ccoc1 575456660 352231148 /nfs/dbraw/zinc/23/11/48/352231148.db2.gz XGAIRTKMHGXUDI-QMMMGPOBSA-N 0 3 171.627 2.422 10 30 AEEEHN C=C(Cl)C[C@@H](N)c1ccoc1 575456659 352231177 /nfs/dbraw/zinc/23/11/77/352231177.db2.gz XGAIRTKMHGXUDI-MRVPVSSYSA-N 0 3 171.627 2.422 10 30 AEEEHN CC(C)(C)C#CCN[C@@H]1C=CCC1 575457858 352234074 /nfs/dbraw/zinc/23/40/74/352234074.db2.gz FFNSCLOQHICYHB-LLVKDONJSA-N 0 3 177.291 2.344 10 30 AEEEHN CC(C)(C)C#CCN[C@H]1C=CCC1 575457861 352234118 /nfs/dbraw/zinc/23/41/18/352234118.db2.gz FFNSCLOQHICYHB-NSHDSACASA-N 0 3 177.291 2.344 10 30 AEEEHN C=C(Cl)C[C@H](N)c1ccns1 575459000 352239051 /nfs/dbraw/zinc/23/90/51/352239051.db2.gz PKPDXXVZGKMJSM-LURJTMIESA-N 0 3 188.683 2.286 10 30 AEEEHN C=C(Cl)C[C@@H](N)c1ccns1 575459004 352239491 /nfs/dbraw/zinc/23/94/91/352239491.db2.gz PKPDXXVZGKMJSM-ZCFIWIBFSA-N 0 3 188.683 2.286 10 30 AEEEHN C=C(C)C[C@H](N)c1ccsn1 575461353 352247138 /nfs/dbraw/zinc/24/71/38/352247138.db2.gz YIGZTISZJYLNFF-ZETCQYMHSA-N 0 3 168.265 2.109 10 30 AEEEHN C=C(C)C[C@@H](N)c1ccsn1 575461352 352247334 /nfs/dbraw/zinc/24/73/34/352247334.db2.gz YIGZTISZJYLNFF-SSDOTTSWSA-N 0 3 168.265 2.109 10 30 AEEEHN C=C(Cl)C[C@@H](N)c1cscn1 575465104 352261352 /nfs/dbraw/zinc/26/13/52/352261352.db2.gz RQXPWIMMOXEPRU-ZCFIWIBFSA-N 0 3 188.683 2.286 10 30 AEEEHN C=C(Cl)C[C@H](N)c1cscn1 575465103 352261688 /nfs/dbraw/zinc/26/16/88/352261688.db2.gz RQXPWIMMOXEPRU-LURJTMIESA-N 0 3 188.683 2.286 10 30 AEEEHN C[C@@H]1CC(F)(F)CCN1CCS 575467028 352269749 /nfs/dbraw/zinc/26/97/49/352269749.db2.gz GVTGXWOXCJMJLY-SSDOTTSWSA-N 0 3 195.278 2.036 10 30 AEEEHN C[C@H]1CC(F)(F)CCN1CCS 575467031 352269822 /nfs/dbraw/zinc/26/98/22/352269822.db2.gz GVTGXWOXCJMJLY-ZETCQYMHSA-N 0 3 195.278 2.036 10 30 AEEEHN C=C(Cl)C[C@@H](N)c1cncs1 575468478 352274706 /nfs/dbraw/zinc/27/47/06/352274706.db2.gz UGHDEVLHUGWRTJ-ZCFIWIBFSA-N 0 3 188.683 2.286 10 30 AEEEHN C=C(C)C[C@@H](N)c1ccns1 575468428 352274833 /nfs/dbraw/zinc/27/48/33/352274833.db2.gz ZDVOMQQXPRCJFN-SSDOTTSWSA-N 0 3 168.265 2.109 10 30 AEEEHN C=C(C)C[C@H](N)c1ccns1 575468429 352274839 /nfs/dbraw/zinc/27/48/39/352274839.db2.gz ZDVOMQQXPRCJFN-ZETCQYMHSA-N 0 3 168.265 2.109 10 30 AEEEHN C=C(Cl)C[C@H](N)c1cncs1 575468477 352274903 /nfs/dbraw/zinc/27/49/03/352274903.db2.gz UGHDEVLHUGWRTJ-LURJTMIESA-N 0 3 188.683 2.286 10 30 AEEEHN Cc1ccsc1C#CCNC(C)C 575468977 352277116 /nfs/dbraw/zinc/27/71/16/352277116.db2.gz HWBJHEFZHAIMEB-UHFFFAOYSA-N 0 3 193.315 2.406 10 30 AEEEHN C=C(Cl)C[C@@H](N)c1ccco1 575470092 352281510 /nfs/dbraw/zinc/28/15/10/352281510.db2.gz CVFFSIXBDDGNKP-SSDOTTSWSA-N 0 3 171.627 2.422 10 30 AEEEHN C=C(Cl)C[C@H](N)c1ccco1 575470095 352281530 /nfs/dbraw/zinc/28/15/30/352281530.db2.gz CVFFSIXBDDGNKP-ZETCQYMHSA-N 0 3 171.627 2.422 10 30 AEEEHN C=C(Cl)C[C@H](N)c1ccsn1 575471016 352285423 /nfs/dbraw/zinc/28/54/23/352285423.db2.gz DCFBIACHTONZQY-LURJTMIESA-N 0 3 188.683 2.286 10 30 AEEEHN C=C(Cl)C[C@@H](N)c1ccsn1 575471017 352285444 /nfs/dbraw/zinc/28/54/44/352285444.db2.gz DCFBIACHTONZQY-ZCFIWIBFSA-N 0 3 188.683 2.286 10 30 AEEEHN C#C[C@H](C)N[C@H]1CCCC(F)(F)C1 575480143 352303359 /nfs/dbraw/zinc/30/33/59/352303359.db2.gz SHJSELQGSNJABB-IUCAKERBSA-N 0 3 187.233 2.176 10 30 AEEEHN C#C[C@@H](C)N[C@@H]1CCCC(F)(F)C1 575480144 352303448 /nfs/dbraw/zinc/30/34/48/352303448.db2.gz SHJSELQGSNJABB-RKDXNWHRSA-N 0 3 187.233 2.176 10 30 AEEEHN C#C[C@H](C)N[C@@H]1CCCC(F)(F)C1 575480142 352303481 /nfs/dbraw/zinc/30/34/81/352303481.db2.gz SHJSELQGSNJABB-DTWKUNHWSA-N 0 3 187.233 2.176 10 30 AEEEHN C#C[C@@H](C)N[C@H]1CCCC(F)(F)C1 575480141 352303645 /nfs/dbraw/zinc/30/36/45/352303645.db2.gz SHJSELQGSNJABB-BDAKNGLRSA-N 0 3 187.233 2.176 10 30 AEEEHN CC#CCN[C@@H]1CCCC(F)(F)C1 575480690 352306877 /nfs/dbraw/zinc/30/68/77/352306877.db2.gz YSHMHAPOGOFRLR-SECBINFHSA-N 0 3 187.233 2.177 10 30 AEEEHN CC#CCN[C@H]1CCCC(F)(F)C1 575480692 352306961 /nfs/dbraw/zinc/30/69/61/352306961.db2.gz YSHMHAPOGOFRLR-VIFPVBQESA-N 0 3 187.233 2.177 10 30 AEEEHN NCC#Cc1ccc2sccc2c1 575485059 352329702 /nfs/dbraw/zinc/32/97/02/352329702.db2.gz KSQNBDDORHJORP-UHFFFAOYSA-N 0 3 187.267 2.212 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 575488223 352347469 /nfs/dbraw/zinc/34/74/69/352347469.db2.gz KLJLHJVABYFANR-UTINFBMNSA-N 0 3 177.247 2.151 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575488203 352347670 /nfs/dbraw/zinc/34/76/70/352347670.db2.gz KLJLHJVABYFANR-KYXWUPHJSA-N 0 3 177.247 2.151 10 30 AEEEHN CC(C#N)C(=O)C1CC2(CCC2)C1 575491446 352362184 /nfs/dbraw/zinc/36/21/84/352362184.db2.gz WQBJCRYGOQVKOX-MRVPVSSYSA-N 0 3 177.247 2.295 10 30 AEEEHN CC(C#N)C(=O)C1CC2(CCC2)C1 575491447 352362314 /nfs/dbraw/zinc/36/23/14/352362314.db2.gz WQBJCRYGOQVKOX-QMMMGPOBSA-N 0 3 177.247 2.295 10 30 AEEEHN CC1CC(CNC2=N[C@H](C)CS2)C1 575492200 352366216 /nfs/dbraw/zinc/36/62/16/352366216.db2.gz WNLZVPSBTZUVMX-QJAFJHJLSA-N 0 3 198.335 2.113 10 30 AEEEHN CC1CC(CNC2=N[C@@H](C)CS2)C1 575492199 352366273 /nfs/dbraw/zinc/36/62/73/352366273.db2.gz WNLZVPSBTZUVMX-MGURRDGZSA-N 0 3 198.335 2.113 10 30 AEEEHN C#C[C@@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C 575497337 352389430 /nfs/dbraw/zinc/38/94/30/352389430.db2.gz XDJAMZQLTDSNRG-CKYFFXLPSA-N 0 3 179.307 2.409 10 30 AEEEHN C#C[C@H](N)[C@]1(C)CC[C@@H](C)C1(C)C 575497341 352389579 /nfs/dbraw/zinc/38/95/79/352389579.db2.gz XDJAMZQLTDSNRG-SCVCMEIPSA-N 0 3 179.307 2.409 10 30 AEEEHN C#C[C@H](N)[C@@]1(C)CC[C@@H](C)C1(C)C 575497339 352389588 /nfs/dbraw/zinc/38/95/88/352389588.db2.gz XDJAMZQLTDSNRG-JFGNBEQYSA-N 0 3 179.307 2.409 10 30 AEEEHN C#C[C@H](N)[C@]1(C)CC[C@H](C)C1(C)C 575497340 352389699 /nfs/dbraw/zinc/38/96/99/352389699.db2.gz XDJAMZQLTDSNRG-NHCYSSNCSA-N 0 3 179.307 2.409 10 30 AEEEHN C#C[C@H](N)[C@@]1(C)CC[C@H](C)C1(C)C 575497338 352389719 /nfs/dbraw/zinc/38/97/19/352389719.db2.gz XDJAMZQLTDSNRG-JBLDHEPKSA-N 0 3 179.307 2.409 10 30 AEEEHN C[C@@H](C=O)N1CCCC(C)(C)CC1 575508115 352445482 /nfs/dbraw/zinc/44/54/82/352445482.db2.gz HCWYFTPHSUWWJN-JTQLQIEISA-N 0 3 183.295 2.086 10 30 AEEEHN C[C@H](C=O)N1CCCC(C)(C)CC1 575508145 352445536 /nfs/dbraw/zinc/44/55/36/352445536.db2.gz HCWYFTPHSUWWJN-SNVBAGLBSA-N 0 3 183.295 2.086 10 30 AEEEHN CC(C)c1cccc(C#CCN)c1 575510181 352458848 /nfs/dbraw/zinc/45/88/48/352458848.db2.gz XKRQCXYDAULPGF-UHFFFAOYSA-N 0 3 173.259 2.120 10 30 AEEEHN C[C@@H](C=O)N1CCCCCCCC1 575511640 352467578 /nfs/dbraw/zinc/46/75/78/352467578.db2.gz UKANZMUKTVMKPS-NSHDSACASA-N 0 3 183.295 2.230 10 30 AEEEHN C[C@H](C=O)N1CCCCCCCC1 575511639 352467659 /nfs/dbraw/zinc/46/76/59/352467659.db2.gz UKANZMUKTVMKPS-LLVKDONJSA-N 0 3 183.295 2.230 10 30 AEEEHN C#C[C@@H](N)c1cc(C)c(F)c(C)c1 575521800 352518454 /nfs/dbraw/zinc/51/84/54/352518454.db2.gz LHSFTMYGJPTHRM-SNVBAGLBSA-N 0 3 177.222 2.076 10 30 AEEEHN C#C[C@H](N)c1cc(C)c(F)c(C)c1 575521799 352518733 /nfs/dbraw/zinc/51/87/33/352518733.db2.gz LHSFTMYGJPTHRM-JTQLQIEISA-N 0 3 177.222 2.076 10 30 AEEEHN C[C@@H](N)C#Cc1ccc(F)c(Cl)c1 575523328 352525686 /nfs/dbraw/zinc/52/56/86/352525686.db2.gz KAOWJYCOLVFJCD-SSDOTTSWSA-N 0 3 197.640 2.178 10 30 AEEEHN C[C@H](N)C#Cc1ccc(F)c(Cl)c1 575523329 352525715 /nfs/dbraw/zinc/52/57/15/352525715.db2.gz KAOWJYCOLVFJCD-ZETCQYMHSA-N 0 3 197.640 2.178 10 30 AEEEHN CNCC#Cc1ccc(F)c(Cl)c1 575524910 352532079 /nfs/dbraw/zinc/53/20/79/352532079.db2.gz WJVKNPDBQYESEL-UHFFFAOYSA-N 0 3 197.640 2.050 10 30 AEEEHN C=C(Cl)CN[C@@]12CCC[C@@H]1C2 575531714 352562624 /nfs/dbraw/zinc/56/26/24/352562624.db2.gz RJECHVAJBMJZFX-RKDXNWHRSA-N 0 3 171.671 2.271 10 30 AEEEHN C=C(Cl)CN[C@]12CCC[C@H]1C2 575531713 352562742 /nfs/dbraw/zinc/56/27/42/352562742.db2.gz RJECHVAJBMJZFX-IUCAKERBSA-N 0 3 171.671 2.271 10 30 AEEEHN C=C(C)[C@@H](N)c1cocc1C 575538440 352594960 /nfs/dbraw/zinc/59/49/60/352594960.db2.gz MKYOMFIPCJLWFI-SECBINFHSA-N 0 3 151.209 2.164 10 30 AEEEHN C=C(C)[C@H](N)c1cocc1C 575538441 352595086 /nfs/dbraw/zinc/59/50/86/352595086.db2.gz MKYOMFIPCJLWFI-VIFPVBQESA-N 0 3 151.209 2.164 10 30 AEEEHN CC#CC[C@@H](N)c1cocc1C 575539701 352600586 /nfs/dbraw/zinc/60/05/86/352600586.db2.gz ZQSOXARDUUEHMW-SNVBAGLBSA-N 0 3 163.220 2.001 10 30 AEEEHN CC#CC[C@H](N)c1cocc1C 575539700 352600904 /nfs/dbraw/zinc/60/09/04/352600904.db2.gz ZQSOXARDUUEHMW-JTQLQIEISA-N 0 3 163.220 2.001 10 30 AEEEHN CNCC#Cc1ccc(Cl)cc1C 575544861 352619264 /nfs/dbraw/zinc/61/92/64/352619264.db2.gz BUYUOADDULXILB-UHFFFAOYSA-N 0 3 193.677 2.219 10 30 AEEEHN Cc1cc(Cl)ccc1C#C[C@H](C)N 575547273 352628490 /nfs/dbraw/zinc/62/84/90/352628490.db2.gz YPQJRSVNTAPZBI-VIFPVBQESA-N 0 3 193.677 2.347 10 30 AEEEHN Cc1cc(Cl)ccc1C#C[C@@H](C)N 575547269 352628643 /nfs/dbraw/zinc/62/86/43/352628643.db2.gz YPQJRSVNTAPZBI-SECBINFHSA-N 0 3 193.677 2.347 10 30 AEEEHN FC1(F)CCCN(CCS)CC1 575549164 352633668 /nfs/dbraw/zinc/63/36/68/352633668.db2.gz IGGLANSHTZPJKL-UHFFFAOYSA-N 0 3 195.278 2.037 10 30 AEEEHN CC(C#N)C(=O)C1CC(C)(C)C1 575553972 352651015 /nfs/dbraw/zinc/65/10/15/352651015.db2.gz CAPMLLKOLPTDSL-SSDOTTSWSA-N 0 3 165.236 2.151 10 30 AEEEHN CC(C#N)C(=O)C1CC(C)(C)C1 575553973 352651176 /nfs/dbraw/zinc/65/11/76/352651176.db2.gz CAPMLLKOLPTDSL-ZETCQYMHSA-N 0 3 165.236 2.151 10 30 AEEEHN CSc1ccc(C#C[C@@H](C)N)cc1 575554559 352652926 /nfs/dbraw/zinc/65/29/26/352652926.db2.gz FQPLJMHSSBUVOJ-SECBINFHSA-N 0 3 191.299 2.107 10 30 AEEEHN CSc1ccc(C#C[C@H](C)N)cc1 575554560 352653140 /nfs/dbraw/zinc/65/31/40/352653140.db2.gz FQPLJMHSSBUVOJ-VIFPVBQESA-N 0 3 191.299 2.107 10 30 AEEEHN CNCC#Cc1ccc(C)cc1Cl 575556530 352660316 /nfs/dbraw/zinc/66/03/16/352660316.db2.gz CRQBSMDASHRTIW-UHFFFAOYSA-N 0 3 193.677 2.219 10 30 AEEEHN C=C(Cl)C[C@]1(C#N)CCCNC1 575556971 352661851 /nfs/dbraw/zinc/66/18/51/352661851.db2.gz AGEHBHPUFIQOMK-VIFPVBQESA-N 0 3 184.670 2.022 10 30 AEEEHN Cc1ccc(C#C[C@@H](C)N)c(Cl)c1 575560858 352678482 /nfs/dbraw/zinc/67/84/82/352678482.db2.gz WIVZRXAURFOWEZ-SECBINFHSA-N 0 3 193.677 2.347 10 30 AEEEHN Cc1ccc(C#C[C@H](C)N)c(Cl)c1 575560859 352678636 /nfs/dbraw/zinc/67/86/36/352678636.db2.gz WIVZRXAURFOWEZ-VIFPVBQESA-N 0 3 193.677 2.347 10 30 AEEEHN C=C(Cl)CNC1(C)CC=CC1 575561492 352681275 /nfs/dbraw/zinc/68/12/75/352681275.db2.gz QVJZBKWQUQHGDT-UHFFFAOYSA-N 0 3 171.671 2.437 10 30 AEEEHN CC(C)(C)[C@H](N)C#Cc1ccsc1 575562719 352687370 /nfs/dbraw/zinc/68/73/70/352687370.db2.gz BRMPYUPNVSTOKN-SNVBAGLBSA-N 0 3 193.315 2.473 10 30 AEEEHN CC(C)(C)[C@@H](N)C#Cc1ccsc1 575562714 352687523 /nfs/dbraw/zinc/68/75/23/352687523.db2.gz BRMPYUPNVSTOKN-JTQLQIEISA-N 0 3 193.315 2.473 10 30 AEEEHN CC(C)(C)[C@@H](N)C#Cc1cccs1 575563184 352689500 /nfs/dbraw/zinc/68/95/00/352689500.db2.gz HNXPNFNHAMLSOW-JTQLQIEISA-N 0 3 193.315 2.473 10 30 AEEEHN CC(C)(C)[C@H](N)C#Cc1ccco1 575563211 352689399 /nfs/dbraw/zinc/68/93/99/352689399.db2.gz IIYUZJXTXJPQLH-SNVBAGLBSA-N 0 3 177.247 2.005 10 30 AEEEHN CC(C)(C)[C@@H](N)C#Cc1ccco1 575563209 352689567 /nfs/dbraw/zinc/68/95/67/352689567.db2.gz IIYUZJXTXJPQLH-JTQLQIEISA-N 0 3 177.247 2.005 10 30 AEEEHN CC(C)(C)[C@H](N)C#Cc1cccs1 575563185 352689587 /nfs/dbraw/zinc/68/95/87/352689587.db2.gz HNXPNFNHAMLSOW-SNVBAGLBSA-N 0 3 193.315 2.473 10 30 AEEEHN CC(C)(C)[C@H](N)C#Cc1ccoc1 575563573 352691459 /nfs/dbraw/zinc/69/14/59/352691459.db2.gz PCZFEQMPQOGFQR-SNVBAGLBSA-N 0 3 177.247 2.005 10 30 AEEEHN CC(C)(C)[C@@H](N)C#Cc1ccoc1 575563572 352691735 /nfs/dbraw/zinc/69/17/35/352691735.db2.gz PCZFEQMPQOGFQR-JTQLQIEISA-N 0 3 177.247 2.005 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CCCC12CC2 575568421 352716427 /nfs/dbraw/zinc/71/64/27/352716427.db2.gz FAEHCTJONDICGM-BDAKNGLRSA-N 0 3 177.247 2.295 10 30 AEEEHN CC(C#N)C(=O)[C@@H]1CCCC12CC2 575568423 352716470 /nfs/dbraw/zinc/71/64/70/352716470.db2.gz FAEHCTJONDICGM-IUCAKERBSA-N 0 3 177.247 2.295 10 30 AEEEHN CC(C#N)C(=O)[C@H]1CCCC12CC2 575568422 352716502 /nfs/dbraw/zinc/71/65/02/352716502.db2.gz FAEHCTJONDICGM-DTWKUNHWSA-N 0 3 177.247 2.295 10 30 AEEEHN CC(C#N)C(=O)[C@H]1CCCC12CC2 575568424 352716833 /nfs/dbraw/zinc/71/68/33/352716833.db2.gz FAEHCTJONDICGM-RKDXNWHRSA-N 0 3 177.247 2.295 10 30 AEEEHN C[C@@H]1C[C@]1(C)N[C@@H]1CCC[C@@H]1C#N 575569106 352719747 /nfs/dbraw/zinc/71/97/47/352719747.db2.gz CCNPPEIEXOZCBC-DBIOUOCHSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1C[C@]1(C)N[C@@H]1CCC[C@H]1C#N 575569113 352719762 /nfs/dbraw/zinc/71/97/62/352719762.db2.gz CCNPPEIEXOZCBC-YTWAJWBKSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1C[C@]1(C)N[C@H]1CCC[C@@H]1C#N 575569115 352719820 /nfs/dbraw/zinc/71/98/20/352719820.db2.gz CCNPPEIEXOZCBC-ZNSHCXBVSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@@H]1C[C@]1(C)N[C@H]1CCC[C@H]1C#N 575569110 352719878 /nfs/dbraw/zinc/71/98/78/352719878.db2.gz CCNPPEIEXOZCBC-RCWTZXSCSA-N 0 3 178.279 2.067 10 30 AEEEHN C[C@H]1CCCCN(C(C)(C)C=O)C1 575575640 352752209 /nfs/dbraw/zinc/75/22/09/352752209.db2.gz LPLLIRLYIQEHPH-JTQLQIEISA-N 0 3 183.295 2.086 10 30 AEEEHN C[C@@H]1CCCCN(C(C)(C)C=O)C1 575575643 352752293 /nfs/dbraw/zinc/75/22/93/352752293.db2.gz LPLLIRLYIQEHPH-SNVBAGLBSA-N 0 3 183.295 2.086 10 30 AEEEHN C=C(Cl)CN[C@]1(C)C[C@H]1C 575576202 352755416 /nfs/dbraw/zinc/75/54/16/352755416.db2.gz LGRNJQUBNJAQII-HTRCEHHLSA-N 0 3 159.660 2.127 10 30 AEEEHN C=C(Cl)CN[C@@]1(C)C[C@@H]1C 575576213 352755424 /nfs/dbraw/zinc/75/54/24/352755424.db2.gz LGRNJQUBNJAQII-XPUUQOCRSA-N 0 3 159.660 2.127 10 30 AEEEHN C=C(Cl)CN[C@@]1(C)C[C@H]1C 575576208 352755563 /nfs/dbraw/zinc/75/55/63/352755563.db2.gz LGRNJQUBNJAQII-SVRRBLITSA-N 0 3 159.660 2.127 10 30 AEEEHN C=C(Cl)CN[C@]1(C)C[C@@H]1C 575576205 352755597 /nfs/dbraw/zinc/75/55/97/352755597.db2.gz LGRNJQUBNJAQII-POYBYMJQSA-N 0 3 159.660 2.127 10 30 AEEEHN C/C=C/C(=O)[C@@]1(N)CCC[C@H](C)C1 575577559 352761891 /nfs/dbraw/zinc/76/18/91/352761891.db2.gz HYIJNSFHKOOYBH-DLSFUBIUSA-N 0 3 181.279 2.039 10 30 AEEEHN C/C=C/C(=O)[C@@]1(N)CCC[C@@H](C)C1 575577562 352762106 /nfs/dbraw/zinc/76/21/06/352762106.db2.gz HYIJNSFHKOOYBH-DREQKGALSA-N 0 3 181.279 2.039 10 30 AEEEHN C/C=C/C(=O)[C@]1(N)CCC[C@@H](C)C1 575577565 352762119 /nfs/dbraw/zinc/76/21/19/352762119.db2.gz HYIJNSFHKOOYBH-FYGOAMBHSA-N 0 3 181.279 2.039 10 30 AEEEHN C/C=C/C(=O)[C@]1(N)CCC[C@H](C)C1 575577568 352762395 /nfs/dbraw/zinc/76/23/95/352762395.db2.gz HYIJNSFHKOOYBH-JAQYDWNVSA-N 0 3 181.279 2.039 10 30 AEEEHN C=C[C@H](NC)c1cocc1C 575590480 352827657 /nfs/dbraw/zinc/82/76/57/352827657.db2.gz HHCKCDOCILPZCB-VIFPVBQESA-N 0 3 151.209 2.035 10 30 AEEEHN C=C[C@@H](NC)c1cocc1C 575590451 352827670 /nfs/dbraw/zinc/82/76/70/352827670.db2.gz HHCKCDOCILPZCB-SECBINFHSA-N 0 3 151.209 2.035 10 30 AEEEHN CC(C)NCC#Cc1ccsc1 575594659 352850729 /nfs/dbraw/zinc/85/07/29/352850729.db2.gz LCVSKCUJVPVKMV-UHFFFAOYSA-N 0 3 179.288 2.098 10 30 AEEEHN Cc1sccc1C#CCNC(C)C 575594962 352851329 /nfs/dbraw/zinc/85/13/29/352851329.db2.gz QDKGFOAEXSPKRJ-UHFFFAOYSA-N 0 3 193.315 2.406 10 30 AEEEHN CC(C)NCC#Cc1cccs1 575595049 352852313 /nfs/dbraw/zinc/85/23/13/352852313.db2.gz SZECLMNBNXLBPO-UHFFFAOYSA-N 0 3 179.288 2.098 10 30 AEEEHN Cc1ccc(C#CCNC(C)C)s1 575595096 352852669 /nfs/dbraw/zinc/85/26/69/352852669.db2.gz UYZDZZFTJDJMFP-UHFFFAOYSA-N 0 3 193.315 2.406 10 30 AEEEHN C[C@@H](CF)N[C@@H]1CCC[C@@H](C#N)C1 590370203 352913228 /nfs/dbraw/zinc/91/32/28/352913228.db2.gz YOPDZPFDONYQSK-IVZWLZJFSA-N 0 3 184.258 2.016 10 30 AEEEHN C[C@@H](CF)N[C@H]1CCC[C@@H](C#N)C1 590370188 352913242 /nfs/dbraw/zinc/91/32/42/352913242.db2.gz YOPDZPFDONYQSK-AEJSXWLSSA-N 0 3 184.258 2.016 10 30 AEEEHN C[C@@H](CF)N[C@@H]1CCC[C@H](C#N)C1 590370204 352913321 /nfs/dbraw/zinc/91/33/21/352913321.db2.gz YOPDZPFDONYQSK-LPEHRKFASA-N 0 3 184.258 2.016 10 30 AEEEHN C[C@@H](CF)N[C@H]1CCC[C@H](C#N)C1 590370201 352913612 /nfs/dbraw/zinc/91/36/12/352913612.db2.gz YOPDZPFDONYQSK-GUBZILKMSA-N 0 3 184.258 2.016 10 30 AEEEHN CC(C)(CC#N)CNCC1(F)CC1 590970480 352915468 /nfs/dbraw/zinc/91/54/68/352915468.db2.gz SKLLGEFYHWLZQB-UHFFFAOYSA-N 0 3 184.258 2.018 10 30 AEEEHN CC[C@@H](CC#N)NC[C@H]1C[C@@H]2C[C@@H]2C1 595530221 352920395 /nfs/dbraw/zinc/92/03/95/352920395.db2.gz PBCXXNSVWGXWRR-USZNOCQGSA-N 0 3 192.306 2.314 10 30 AEEEHN CC[C@H](CC#N)NC[C@H]1C[C@@H]2C[C@@H]2C1 595530222 352920567 /nfs/dbraw/zinc/92/05/67/352920567.db2.gz PBCXXNSVWGXWRR-WRWGMCAJSA-N 0 3 192.306 2.314 10 30 AEEEHN C[C@@]1(C#N)CCN(C2CCCC2)C1 595844040 352922670 /nfs/dbraw/zinc/92/26/70/352922670.db2.gz PGQPHTRQUKXXIY-NSHDSACASA-N 0 3 178.279 2.165 10 30 AEEEHN CC[C@H](C)N1CC[C@](C)(C#N)C1 595843842 352922736 /nfs/dbraw/zinc/92/27/36/352922736.db2.gz NXCXSTIRCAQZEN-VHSXEESVSA-N 0 3 166.268 2.020 10 30 AEEEHN CC[C@H](C)N1CC[C@@](C)(C#N)C1 595843841 352922854 /nfs/dbraw/zinc/92/28/54/352922854.db2.gz NXCXSTIRCAQZEN-UWVGGRQHSA-N 0 3 166.268 2.020 10 30 AEEEHN CC[C@@H](C)N1CC[C@@](C)(C#N)C1 595843843 352922865 /nfs/dbraw/zinc/92/28/65/352922865.db2.gz NXCXSTIRCAQZEN-ZJUUUORDSA-N 0 3 166.268 2.020 10 30 AEEEHN CC[C@@H](C)N1CC[C@](C)(C#N)C1 595843840 352922880 /nfs/dbraw/zinc/92/28/80/352922880.db2.gz NXCXSTIRCAQZEN-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN C[C@]1(C#N)CCN(C2CCCC2)C1 595844039 352922925 /nfs/dbraw/zinc/92/29/25/352922925.db2.gz PGQPHTRQUKXXIY-LLVKDONJSA-N 0 3 178.279 2.165 10 30 AEEEHN CC1(CN2CC[C@](C)(C#N)C2)CCC1 595843824 352922937 /nfs/dbraw/zinc/92/29/37/352922937.db2.gz NTIYLRXVXAAPAO-GFCCVEGCSA-N 0 3 192.306 2.412 10 30 AEEEHN CC1(CN2CC[C@@](C)(C#N)C2)CCC1 595843825 352922952 /nfs/dbraw/zinc/92/29/52/352922952.db2.gz NTIYLRXVXAAPAO-LBPRGKRZSA-N 0 3 192.306 2.412 10 30 AEEEHN CC#CCN(CCCC)C1CC1 607726493 352926416 /nfs/dbraw/zinc/92/64/16/352926416.db2.gz FGLPXUGHRXIRDC-UHFFFAOYSA-N 0 3 165.280 2.274 10 30 AEEEHN CC#CCN(C)Cc1ccc(C)cc1 607725250 352926619 /nfs/dbraw/zinc/92/66/19/352926619.db2.gz GXVMCXRZGUBRHJ-UHFFFAOYSA-N 0 3 187.286 2.450 10 30 AEEEHN C=CCCN(C)Cc1ccc(C#N)o1 615650406 352930977 /nfs/dbraw/zinc/93/09/77/352930977.db2.gz KPDPPIPXGTYGSP-UHFFFAOYSA-N 0 3 190.246 2.159 10 30 AEEEHN CC#CCN[C@@H](C)c1cccs1 51663206 371635533 /nfs/dbraw/zinc/63/55/33/371635533.db2.gz OQOMGUUJNHKJHJ-VIFPVBQESA-N 0 3 179.288 2.422 10 30 AEEEHN CC#CCNCc1ccc(Cl)cc1 51663081 371635835 /nfs/dbraw/zinc/63/58/35/371635835.db2.gz LNYYBXFMCDPLIN-UHFFFAOYSA-N 0 3 193.677 2.453 10 30 AEEEHN C=C(C)CCNCc1cc(C)no1 168976755 371684721 /nfs/dbraw/zinc/68/47/21/371684721.db2.gz VPSDVBYRPLRQKY-UHFFFAOYSA-N 0 3 180.251 2.039 10 30 AEEEHN C=C(C)C[C@H]([NH3+])c1cccc(O)c1[O-] 307355360 371779291 /nfs/dbraw/zinc/77/92/91/371779291.db2.gz YIIYVUZGXYKHSQ-VIFPVBQESA-N 0 3 193.246 2.064 10 30 AEEEHN CC[C@H](C)CN1CC[C@@](C)(C#N)C1 595838100 371858504 /nfs/dbraw/zinc/85/85/04/371858504.db2.gz QQSILFDDZXNDIF-QWRGUYRKSA-N 0 3 180.295 2.268 10 30 AEEEHN CC[C@@H](C)CN1CC[C@@](C)(C#N)C1 595838099 371858641 /nfs/dbraw/zinc/85/86/41/371858641.db2.gz QQSILFDDZXNDIF-MNOVXSKESA-N 0 3 180.295 2.268 10 30 AEEEHN CC[C@@H](C)CN1CC[C@](C)(C#N)C1 595838098 371858940 /nfs/dbraw/zinc/85/89/40/371858940.db2.gz QQSILFDDZXNDIF-GHMZBOCLSA-N 0 3 180.295 2.268 10 30 AEEEHN C=CCN(C[C@@H](OC)C1CC1)C1CC1 644928341 371930776 /nfs/dbraw/zinc/93/07/76/371930776.db2.gz FLAAWORMUSILTG-GFCCVEGCSA-N 0 3 195.306 2.062 10 30 AEEEHN C=CCN(C[C@H](OC)C1CC1)C1CC1 644928344 371931018 /nfs/dbraw/zinc/93/10/18/371931018.db2.gz FLAAWORMUSILTG-LBPRGKRZSA-N 0 3 195.306 2.062 10 30 AEEEHN C=CCCC[C@H](C)N1CCO[C@H](C)C1 645219138 371953819 /nfs/dbraw/zinc/95/38/19/371953819.db2.gz MPQWZLAQKCECEC-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCCC[C@@H](C)N1CCO[C@H](C)C1 645219144 371954200 /nfs/dbraw/zinc/95/42/00/371954200.db2.gz MPQWZLAQKCECEC-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCCC[C@@H](C)N1CCO[C@@H](C)C1 645223202 371955892 /nfs/dbraw/zinc/95/58/92/371955892.db2.gz MPQWZLAQKCECEC-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCCC[C@H](C)N1CCO[C@@H](C)C1 645223203 371956635 /nfs/dbraw/zinc/95/66/35/371956635.db2.gz MPQWZLAQKCECEC-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN CC#CCN(C)CCCOC(C)(C)C 645262197 371958992 /nfs/dbraw/zinc/95/89/92/371958992.db2.gz DGQASSBODCMRTP-UHFFFAOYSA-N 0 3 197.322 2.147 10 30 AEEEHN C=CCN(C)CCc1ccncc1C 645861687 371968866 /nfs/dbraw/zinc/96/88/66/371968866.db2.gz CEHCRLSHMSAELX-UHFFFAOYSA-N 0 3 190.290 2.050 10 30 AEEEHN C=CCN(C)CCc1cccc(C)n1 645861716 371969062 /nfs/dbraw/zinc/96/90/62/371969062.db2.gz FHSNBEOMCDEGIQ-UHFFFAOYSA-N 0 3 190.290 2.050 10 30 AEEEHN C=CCN(C)CC1=CCCC1 645861651 371969210 /nfs/dbraw/zinc/96/92/10/371969210.db2.gz AFCCAXCJRMNCFM-UHFFFAOYSA-N 0 3 151.253 2.215 10 30 AEEEHN C=C(C)CN1CC[C@@H](OC(C)C)C1 645945387 371972934 /nfs/dbraw/zinc/97/29/34/371972934.db2.gz BCMGVRNPYLYKRC-LLVKDONJSA-N 0 3 183.295 2.062 10 30 AEEEHN CCNCC#Cc1cccc(Cl)c1 229452763 375424880 /nfs/dbraw/zinc/42/48/80/375424880.db2.gz XRYRUNUYPKENRC-UHFFFAOYSA-N 0 3 193.677 2.301 10 30 AEEEHN CCNCC#Cc1cccc(C)c1C 229453003 375425057 /nfs/dbraw/zinc/42/50/57/375425057.db2.gz SVGRNPUGENHNRF-UHFFFAOYSA-N 0 3 187.286 2.264 10 30 AEEEHN CCNCC#Cc1ccccc1Cl 229452553 375425089 /nfs/dbraw/zinc/42/50/89/375425089.db2.gz VMALBIUBUKDXLH-UHFFFAOYSA-N 0 3 193.677 2.301 10 30 AEEEHN CCNCC#Cc1ccc(Cl)cc1 229452436 375425107 /nfs/dbraw/zinc/42/51/07/375425107.db2.gz SLNSAYXQQLDOKO-UHFFFAOYSA-N 0 3 193.677 2.301 10 30 AEEEHN C[C@@H]1CN(CCC(C)(C)C#N)[C@@H]1C 306527003 375452517 /nfs/dbraw/zinc/45/25/17/375452517.db2.gz WDDYQKMGIUVYSO-NXEZZACHSA-N 0 3 180.295 2.266 10 30 AEEEHN C=C(CC)CN1[C@@H](C)COC[C@H]1C 306670508 375457087 /nfs/dbraw/zinc/45/70/87/375457087.db2.gz LXIXFNJWSXLGGX-PHIMTYICSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(CC)CN1[C@H](C)COC[C@H]1C 306670502 375457251 /nfs/dbraw/zinc/45/72/51/375457251.db2.gz LXIXFNJWSXLGGX-GHMZBOCLSA-N 0 3 183.295 2.062 10 30 AEEEHN C=C(CC)CN1[C@@H](C)COC[C@@H]1C 306670513 375457258 /nfs/dbraw/zinc/45/72/58/375457258.db2.gz LXIXFNJWSXLGGX-QWRGUYRKSA-N 0 3 183.295 2.062 10 30 AEEEHN C[C@H]1CCCN(CC2(C#N)CCC2)C1 336189681 375492821 /nfs/dbraw/zinc/49/28/21/375492821.db2.gz LFUCZBUYVVFKEZ-NSHDSACASA-N 0 3 192.306 2.412 10 30 AEEEHN C[C@@H]1CCCN(CC2(C#N)CCC2)C1 336189680 375492986 /nfs/dbraw/zinc/49/29/86/375492986.db2.gz LFUCZBUYVVFKEZ-LLVKDONJSA-N 0 3 192.306 2.412 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1C[C@@H](C)[C@H]1C 393592241 375499415 /nfs/dbraw/zinc/49/94/15/375499415.db2.gz VTSLXZPFFJRTHP-GWOFURMSSA-N 0 3 180.295 2.313 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1C[C@@H](C)[C@@H]1C 393592243 375499449 /nfs/dbraw/zinc/49/94/49/375499449.db2.gz VTSLXZPFFJRTHP-LMLFDSFASA-N 0 3 180.295 2.313 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1C[C@H](C)[C@H]1C 393592244 375499483 /nfs/dbraw/zinc/49/94/83/375499483.db2.gz VTSLXZPFFJRTHP-LNFKQOIKSA-N 0 3 180.295 2.313 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1C[C@H](C)[C@@H]1C 393592245 375499511 /nfs/dbraw/zinc/49/95/11/375499511.db2.gz VTSLXZPFFJRTHP-UKKRHICBSA-N 0 3 180.295 2.313 10 30 AEEEHN C=C(C)CCNCc1ccns1 404477892 375534129 /nfs/dbraw/zinc/53/41/29/375534129.db2.gz UAUQMNNOLDXCOF-UHFFFAOYSA-N 0 3 182.292 2.199 10 30 AEEEHN C=CC(C)(C)CNCc1ccns1 404459441 375534138 /nfs/dbraw/zinc/53/41/38/375534138.db2.gz SAZGAVMMBDFJOI-UHFFFAOYSA-N 0 3 196.319 2.445 10 30 AEEEHN C=C(CC)CNCc1ccns1 404486057 375535416 /nfs/dbraw/zinc/53/54/16/375535416.db2.gz BVBPBLYSWCVPKY-UHFFFAOYSA-N 0 3 182.292 2.199 10 30 AEEEHN C=CC[C@H](C)NCc1ccns1 404503563 375535432 /nfs/dbraw/zinc/53/54/32/375535432.db2.gz JKLNQZBTGKJMHX-QMMMGPOBSA-N 0 3 182.292 2.197 10 30 AEEEHN C=CC[C@@H](C)NCc1ccns1 404503555 375535578 /nfs/dbraw/zinc/53/55/78/375535578.db2.gz JKLNQZBTGKJMHX-MRVPVSSYSA-N 0 3 182.292 2.197 10 30 AEEEHN C=CCCCNCc1ccns1 404486578 375535623 /nfs/dbraw/zinc/53/56/23/375535623.db2.gz CMJABDKPVMQPPY-UHFFFAOYSA-N 0 3 182.292 2.199 10 30 AEEEHN Cc1cc(C#CCNC(C)C)cs1 575470555 375549411 /nfs/dbraw/zinc/54/94/11/375549411.db2.gz FBEDGXSTFLAEKA-UHFFFAOYSA-N 0 3 193.315 2.406 10 30 AEEEHN CCOCCN(CC)[C@@H](C)CCC#N 591013998 375560024 /nfs/dbraw/zinc/56/00/24/375560024.db2.gz HONUKZUHYWSIGC-NSHDSACASA-N 0 3 198.310 2.037 10 30 AEEEHN CCOCCN(CC)[C@H](C)CCC#N 591013997 375560073 /nfs/dbraw/zinc/56/00/73/375560073.db2.gz HONUKZUHYWSIGC-LLVKDONJSA-N 0 3 198.310 2.037 10 30 AEEEHN C=CCCCN(C)Cc1conc1C 646088911 375574773 /nfs/dbraw/zinc/57/47/73/375574773.db2.gz XFURVKPCVMYPQM-UHFFFAOYSA-N 0 3 194.278 2.381 10 30 AEEEHN CC#CCOc1cc(C)nc(C)c1C 647881346 375671635 /nfs/dbraw/zinc/67/16/35/375671635.db2.gz KLLFGQDCKJMBBO-UHFFFAOYSA-N 0 3 189.258 2.409 10 30 AEEEHN C=CC(C)(C)CNCc1conc1C 648733566 375740504 /nfs/dbraw/zinc/74/05/04/375740504.db2.gz GFYGVRZHYKKPNL-UHFFFAOYSA-N 0 3 194.278 2.285 10 30 AEEEHN C=C(CC)CNCC1(F)CC1 648840308 375750028 /nfs/dbraw/zinc/75/00/28/375750028.db2.gz ZFMKBVVFJLHQKX-UHFFFAOYSA-N 0 3 157.232 2.044 10 30 AEEEHN C=CCCN1CCC(=O)CC12CCC2 653763900 409378209 /nfs/dbraw/zinc/37/82/09/409378209.db2.gz BBPIFNRYVRLPCQ-UHFFFAOYSA-N 0 3 193.290 2.150 10 30 AEEEHN C=CCCCCCNCc1cc[nH]n1 655825604 409417519 /nfs/dbraw/zinc/41/75/19/409417519.db2.gz JTFSYPZSKUXJOT-UHFFFAOYSA-N 0 3 193.294 2.246 10 30 AEEEHN C=CCCCCCNCc1ncc[nH]1 655827983 409418192 /nfs/dbraw/zinc/41/81/92/409418192.db2.gz ZRVKVBYJUOPSHT-UHFFFAOYSA-N 0 3 193.294 2.246 10 30 AEEEHN C=CCCNCc1ccccc1F 70591407 409428769 /nfs/dbraw/zinc/42/87/69/409428769.db2.gz BEZWRWUXJXLOEJ-UHFFFAOYSA-N 0 3 179.238 2.491 10 30 AEEEHN C=CCCNCc1ccc(C)o1 70592296 409431529 /nfs/dbraw/zinc/43/15/29/409431529.db2.gz GRDORCGGAOVFKS-UHFFFAOYSA-N 0 3 165.236 2.254 10 30 AEEEHN C=CCN(C)C1CC(OC(C)C)C1 656498632 409438516 /nfs/dbraw/zinc/43/85/16/409438516.db2.gz IFFVBTQOFJQBHM-UHFFFAOYSA-N 0 3 183.295 2.060 10 30 AEEEHN C=CCN1CCCC[C@@H]1COCC 657140196 409458095 /nfs/dbraw/zinc/45/80/95/409458095.db2.gz CRCJQNRXYDWYFG-LLVKDONJSA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCN1CCCC[C@H]1COCC 657140197 409458127 /nfs/dbraw/zinc/45/81/27/409458127.db2.gz CRCJQNRXYDWYFG-NSHDSACASA-N 0 3 183.295 2.063 10 30 AEEEHN C=C(C)CCN[C@@H](C)c1ccn(C)n1 657312209 409469717 /nfs/dbraw/zinc/46/97/17/409469717.db2.gz POWRFJZETANXBJ-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN C=C(C)CCN[C@H](C)c1ccn(C)n1 657312210 409470197 /nfs/dbraw/zinc/47/01/97/409470197.db2.gz POWRFJZETANXBJ-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN C=C(C)CN(C)Cc1cccc(N)c1 219311285 409516024 /nfs/dbraw/zinc/51/60/24/409516024.db2.gz AAWPIEHZRZLCEI-UHFFFAOYSA-N 0 3 190.290 2.277 10 30 AEEEHN C=CCN(C)C[C@H](OC)C1CCCC1 660329813 409594999 /nfs/dbraw/zinc/59/49/99/409594999.db2.gz YCQKHMPOYPBYOQ-LBPRGKRZSA-N 0 3 197.322 2.309 10 30 AEEEHN C=CCN(C)C[C@@H](OC)C1CCCC1 660329812 409595605 /nfs/dbraw/zinc/59/56/05/409595605.db2.gz YCQKHMPOYPBYOQ-GFCCVEGCSA-N 0 3 197.322 2.309 10 30 AEEEHN CC#CCN(C)[C@@H]1C[C@@H]1c1ccccc1 660644105 409612502 /nfs/dbraw/zinc/61/25/02/409612502.db2.gz HNAVIRJUBBZWJH-ZIAGYGMSSA-N 0 3 199.297 2.498 10 30 AEEEHN C=C(C)CN1CCO[C@](C)(C2CC2)C1 661165304 409633615 /nfs/dbraw/zinc/63/36/15/409633615.db2.gz TWGQKVHIRANERD-LBPRGKRZSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CN1CCO[C@@](C)(C2CC2)C1 661165303 409634230 /nfs/dbraw/zinc/63/42/30/409634230.db2.gz TWGQKVHIRANERD-GFCCVEGCSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CCCN1CCO[C@](C)(C2CC2)C1 661171452 409636217 /nfs/dbraw/zinc/63/62/17/409636217.db2.gz OKVMCRRTZWJJKI-LBPRGKRZSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CCCN1CCO[C@@](C)(C2CC2)C1 661171451 409636384 /nfs/dbraw/zinc/63/63/84/409636384.db2.gz OKVMCRRTZWJJKI-GFCCVEGCSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CCN(CC=C(C)C)[C@H](C)COC 661239199 409636734 /nfs/dbraw/zinc/63/67/34/409636734.db2.gz CXEUEJGNMKCPHW-GFCCVEGCSA-N 0 3 197.322 2.476 10 30 AEEEHN C=CCN(CC=C(C)C)[C@@H](C)COC 661239201 409638252 /nfs/dbraw/zinc/63/82/52/409638252.db2.gz CXEUEJGNMKCPHW-LBPRGKRZSA-N 0 3 197.322 2.476 10 30 AEEEHN C=C(C)CN1CC2(CCC2)OC[C@@H]1C 661467802 409639986 /nfs/dbraw/zinc/63/99/86/409639986.db2.gz SMUWOWXLZMTYIE-NSHDSACASA-N 0 3 195.306 2.206 10 30 AEEEHN C=CCCN1CC2(CCC2)OC[C@H]1C 661462839 409640578 /nfs/dbraw/zinc/64/05/78/409640578.db2.gz KSLMRNKQWOBDOU-LLVKDONJSA-N 0 3 195.306 2.206 10 30 AEEEHN C=CCCN1CC2(CCC2)OC[C@@H]1C 661462840 409641306 /nfs/dbraw/zinc/64/13/06/409641306.db2.gz KSLMRNKQWOBDOU-NSHDSACASA-N 0 3 195.306 2.206 10 30 AEEEHN C=C(C)CN1CC2(CCC2)OC[C@H]1C 661467800 409642260 /nfs/dbraw/zinc/64/22/60/409642260.db2.gz SMUWOWXLZMTYIE-LLVKDONJSA-N 0 3 195.306 2.206 10 30 AEEEHN C=C(C)CCN1C[C@@H](C)C(=O)[C@H](C)C1 661537540 409644855 /nfs/dbraw/zinc/64/48/55/409644855.db2.gz CLGVVXIJAAYPHZ-GHMZBOCLSA-N 0 3 195.306 2.110 10 30 AEEEHN C=CCCCN1C[C@@H](C)C(=O)[C@H](C)C1 661551951 409645054 /nfs/dbraw/zinc/64/50/54/409645054.db2.gz WKTZAYHUIIWGMM-GHMZBOCLSA-N 0 3 195.306 2.110 10 30 AEEEHN CC#CCN1CCC[C@@H](CCF)C1 661688565 409654654 /nfs/dbraw/zinc/65/46/54/409654654.db2.gz DNSPHYQMYIGIGF-NSHDSACASA-N 0 3 183.270 2.081 10 30 AEEEHN CC#CCN1CCC[C@H](CCF)C1 661688564 409654865 /nfs/dbraw/zinc/65/48/65/409654865.db2.gz DNSPHYQMYIGIGF-LLVKDONJSA-N 0 3 183.270 2.081 10 30 AEEEHN C=CCN1CC2(CCCC2)OC[C@H]1C 661985697 409678611 /nfs/dbraw/zinc/67/86/11/409678611.db2.gz WCJQMRZFZITRCH-LLVKDONJSA-N 0 3 195.306 2.206 10 30 AEEEHN C=CCN1CC2(CCCC2)OC[C@@H]1C 661985699 409679045 /nfs/dbraw/zinc/67/90/45/409679045.db2.gz WCJQMRZFZITRCH-NSHDSACASA-N 0 3 195.306 2.206 10 30 AEEEHN C=C(C)CN(C)CC1=CCSC1 662268687 409706696 /nfs/dbraw/zinc/70/66/96/409706696.db2.gz HOXIBBZLWLIIRQ-UHFFFAOYSA-N 0 3 183.320 2.168 10 30 AEEEHN CC#CCCN(C)CC1=CCSC1 662262751 409706789 /nfs/dbraw/zinc/70/67/89/409706789.db2.gz DAKSXOLXIIFBTL-UHFFFAOYSA-N 0 3 195.331 2.005 10 30 AEEEHN C=CCCc1csc([C@@H](C)N)n1 308374884 409715221 /nfs/dbraw/zinc/71/52/21/409715221.db2.gz MTQAVFWVAKLVHH-SSDOTTSWSA-N 0 3 182.292 2.281 10 30 AEEEHN C=C(CC)CN[C@H](C)c1ccnn1C 313492816 409777474 /nfs/dbraw/zinc/77/74/74/409777474.db2.gz PCCVYPHPQKAFHP-SNVBAGLBSA-N 0 3 193.294 2.037 10 30 AEEEHN C=C(CC)CN[C@@H](C)c1ccnn1C 313492815 409778650 /nfs/dbraw/zinc/77/86/50/409778650.db2.gz PCCVYPHPQKAFHP-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN C=C(C)CN(C)CCc1cncs1 663691300 409796140 /nfs/dbraw/zinc/79/61/40/409796140.db2.gz DTPRITIBHSVHNV-UHFFFAOYSA-N 0 3 196.319 2.194 10 30 AEEEHN C=CC[C@@H](C)NCc1conc1C 378869538 409811991 /nfs/dbraw/zinc/81/19/91/409811991.db2.gz KDTGPIFXFWUFON-MRVPVSSYSA-N 0 3 180.251 2.037 10 30 AEEEHN C=CC[C@H](C)NCc1conc1C 378869539 409813114 /nfs/dbraw/zinc/81/31/14/409813114.db2.gz KDTGPIFXFWUFON-QMMMGPOBSA-N 0 3 180.251 2.037 10 30 AEEEHN C=CCN1CC[C@@H](OCCC(C)C)C1 665031261 409833582 /nfs/dbraw/zinc/83/35/82/409833582.db2.gz DRSIWLRGQHIMHJ-GFCCVEGCSA-N 0 3 197.322 2.309 10 30 AEEEHN C=CCCN1CCO[C@H](C2CCC2)C1 664828165 409834218 /nfs/dbraw/zinc/83/42/18/409834218.db2.gz RKQWZCRPEVCSPK-LBPRGKRZSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CCCN1CCO[C@@H](C2CCC2)C1 664828164 409834845 /nfs/dbraw/zinc/83/48/45/409834845.db2.gz RKQWZCRPEVCSPK-GFCCVEGCSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CC[C@@H](CC)NCc1conc1C 382107387 409890924 /nfs/dbraw/zinc/89/09/24/409890924.db2.gz IXVYBGWREBMVDW-LLVKDONJSA-N 0 3 194.278 2.427 10 30 AEEEHN C=CC[C@H](CC)NCc1conc1C 382107389 409892270 /nfs/dbraw/zinc/89/22/70/409892270.db2.gz IXVYBGWREBMVDW-NSHDSACASA-N 0 3 194.278 2.427 10 30 AEEEHN C=CCCCCNCc1conc1C 393911753 409994716 /nfs/dbraw/zinc/99/47/16/409994716.db2.gz CQMZUXHVMPFAQB-UHFFFAOYSA-N 0 3 194.278 2.429 10 30 AEEEHN C=C(C)CCNCc1conc1C 397887048 410017525 /nfs/dbraw/zinc/01/75/25/410017525.db2.gz JOHGASYZBUWFMV-UHFFFAOYSA-N 0 3 180.251 2.039 10 30 AEEEHN C=CCCCCN1CCO[C@@H](C)C1 649223557 410176455 /nfs/dbraw/zinc/17/64/55/410176455.db2.gz FDIRSPNQFIZKEG-NSHDSACASA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCCCCN1CCO[C@H](C)C1 649223556 410177398 /nfs/dbraw/zinc/17/73/98/410177398.db2.gz FDIRSPNQFIZKEG-LLVKDONJSA-N 0 3 183.295 2.063 10 30 AEEEHN C=CCCCCN1C[C@@H]2CC[C@H](C1)O2 649333286 410191336 /nfs/dbraw/zinc/19/13/36/410191336.db2.gz SXEZRMWKALRJPG-TXEJJXNPSA-N 0 3 195.306 2.206 10 30 AEEEHN C=C(C)CCN(C(C)C)C1COC1 649694116 410225572 /nfs/dbraw/zinc/22/55/72/410225572.db2.gz DSOSWZIYNAKBTM-UHFFFAOYSA-N 0 3 183.295 2.062 10 30 AEEEHN C=CCCCN1C[C@H](CC)OC[C@@H]1C 649733071 410227608 /nfs/dbraw/zinc/22/76/08/410227608.db2.gz FFCPCRQVNGJAID-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCCCN1C[C@H](CC)OC[C@H]1C 649733069 410228065 /nfs/dbraw/zinc/22/80/65/410228065.db2.gz FFCPCRQVNGJAID-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CN1C[C@H](CC)OC[C@H]1CC 649720073 410228326 /nfs/dbraw/zinc/22/83/26/410228326.db2.gz BOFPHSSYOCYDBM-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CN1C[C@@H](CC)OC[C@H]1CC 649720076 410228572 /nfs/dbraw/zinc/22/85/72/410228572.db2.gz BOFPHSSYOCYDBM-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CN1C[C@@H](CC)OC[C@@H]1CC 649720074 410228801 /nfs/dbraw/zinc/22/88/01/410228801.db2.gz BOFPHSSYOCYDBM-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(C)CN1C[C@H](CC)OC[C@@H]1CC 649720075 410229888 /nfs/dbraw/zinc/22/98/88/410229888.db2.gz BOFPHSSYOCYDBM-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCCCN1C[C@@H](CC)OC[C@@H]1C 649733070 410229926 /nfs/dbraw/zinc/22/99/26/410229926.db2.gz FFCPCRQVNGJAID-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCCCN1C[C@@H](CC)OC[C@H]1C 649733072 410230543 /nfs/dbraw/zinc/23/05/43/410230543.db2.gz FFCPCRQVNGJAID-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@H](CC)OC[C@@H]1C 649734946 410232484 /nfs/dbraw/zinc/23/24/84/410232484.db2.gz CVSAQAQCUVTCIM-RYUDHWBXSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@@H](CC)OC[C@@H]1C 649734945 410233344 /nfs/dbraw/zinc/23/33/44/410233344.db2.gz CVSAQAQCUVTCIM-NWDGAFQWSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@H](CC)OC[C@H]1C 649734944 410233482 /nfs/dbraw/zinc/23/34/82/410233482.db2.gz CVSAQAQCUVTCIM-NEPJUHHUSA-N 0 3 197.322 2.452 10 30 AEEEHN C=C(CC)CN1C[C@@H](CC)OC[C@H]1C 649734947 410234072 /nfs/dbraw/zinc/23/40/72/410234072.db2.gz CVSAQAQCUVTCIM-VXGBXAGGSA-N 0 3 197.322 2.452 10 30 AEEEHN C=CCCN1C[C@H](C)OCC12CCC2 649820930 410239297 /nfs/dbraw/zinc/23/92/97/410239297.db2.gz RUXAJRRAUCWZHM-NSHDSACASA-N 0 3 195.306 2.206 10 30 AEEEHN C=CCCN1C[C@@H](C)OCC12CCC2 649820929 410239713 /nfs/dbraw/zinc/23/97/13/410239713.db2.gz RUXAJRRAUCWZHM-LLVKDONJSA-N 0 3 195.306 2.206 10 30 AEEEHN C=C(C)CN1C[C@H](C)OCC12CCC2 649823360 410240106 /nfs/dbraw/zinc/24/01/06/410240106.db2.gz CQFUBIZKJIFWOP-NSHDSACASA-N 0 3 195.306 2.206 10 30 AEEEHN C=C(C)CN1C[C@@H](C)OCC12CCC2 649823359 410240547 /nfs/dbraw/zinc/24/05/47/410240547.db2.gz CQFUBIZKJIFWOP-LLVKDONJSA-N 0 3 195.306 2.206 10 30 AEEEHN C=C(C)CN1CC[C@]2(C1)CC2(F)F 649899367 410246025 /nfs/dbraw/zinc/24/60/25/410246025.db2.gz DVTFXQOMSJENDK-SECBINFHSA-N 0 3 187.233 2.294 10 30 AEEEHN C=C(C)CN1CC[C@@]2(C1)CC2(F)F 649899368 410246524 /nfs/dbraw/zinc/24/65/24/410246524.db2.gz DVTFXQOMSJENDK-VIFPVBQESA-N 0 3 187.233 2.294 10 30 AEEEHN C=C(Cl)CNC[C@H](C)CSC 69011459 572016553 /nfs/dbraw/zinc/01/65/53/572016553.db2.gz DNDAFQPHWUAOCR-ZETCQYMHSA-N 0 3 193.743 2.328 10 30 AEEEHN C[C@H]1CC[C@H](C)[C@H](NCCC#N)C1 82858003 572156237 /nfs/dbraw/zinc/15/62/37/572156237.db2.gz SOZJIZWDLAVHEL-GARJFASQSA-N 0 3 180.295 2.314 10 30 AEEEHN C#CCCNCc1ccc(C)c(F)c1 69767774 572143766 /nfs/dbraw/zinc/14/37/66/572143766.db2.gz ROJRLUATPVALAM-UHFFFAOYSA-N 0 3 191.249 2.247 10 30 AEEEHN C=CCN1CCCC[C@@H]1CC(C)=O 86499146 572946415 /nfs/dbraw/zinc/94/64/15/572946415.db2.gz SURRPMRPHJPHBY-LLVKDONJSA-N 0 3 181.279 2.006 10 30 AEEEHN CC[C@@H](N)c1ccc(F)cc1C#N 238279367 573100891 /nfs/dbraw/zinc/10/08/91/573100891.db2.gz OTVUTFRHOVKOGE-SNVBAGLBSA-N 0 3 178.210 2.107 10 30 AEEEHN C[C@H](C#N)[C@@H](C)NC1(C2CC2)CC1 308261507 573113778 /nfs/dbraw/zinc/11/37/78/573113778.db2.gz NOCSTMBWZXMBNM-RKDXNWHRSA-N 0 3 178.279 2.067 10 30 AEEEHN C#CC(C)(C)NCc1ccc(C#N)cc1 69678240 573203063 /nfs/dbraw/zinc/20/30/63/573203063.db2.gz ANVCVKSJEFABAZ-UHFFFAOYSA-N 0 3 198.269 2.060 10 30 AEEEHN Cc1ccc(C)c([C@H]([S-])C[NH3+])c1 259370542 573203292 /nfs/dbraw/zinc/20/32/92/573203292.db2.gz VMNCNYXAWJXTIP-SNVBAGLBSA-N 0 3 181.304 2.233 10 30 AEEEHN CC[C@H](N)c1cc(F)ccc1C#N 238312824 573205580 /nfs/dbraw/zinc/20/55/80/573205580.db2.gz AHYFDJBHEHHTFQ-JTQLQIEISA-N 0 3 178.210 2.107 10 30 AEEEHN CC[C@H](N)c1cc(F)c(F)cc1C#N 238312473 573208974 /nfs/dbraw/zinc/20/89/74/573208974.db2.gz LISVYRLYPRJDGK-JTQLQIEISA-N 0 3 196.200 2.246 10 30 AEEEHN CN[C@H]([C@@H](C#N)C(C)C)C(C)(C)C 259376138 573209142 /nfs/dbraw/zinc/20/91/42/573209142.db2.gz VKXZQBCZQUZUKS-VHSXEESVSA-N 0 3 182.311 2.416 10 30 AEEEHN CN[C@H]([C@H](C#N)C(C)C)C(C)(C)C 259376130 573212707 /nfs/dbraw/zinc/21/27/07/573212707.db2.gz VKXZQBCZQUZUKS-NXEZZACHSA-N 0 3 182.311 2.416 10 30 AEEEHN C=C[C@@H](C)CN(C)Cc1cncs1 308258921 573212959 /nfs/dbraw/zinc/21/29/59/573212959.db2.gz MLWGHOCQVBOOTN-SECBINFHSA-N 0 3 196.319 2.397 10 30 AEEEHN C=CCC/N=C/c1ccc[nH]1 104709827 573213209 /nfs/dbraw/zinc/21/32/09/573213209.db2.gz ULZAFAOAWIVUJI-CSKARUKUSA-N 0 3 148.209 2.010 10 30 AEEEHN C[C@@H]1CN([C@@H]2CCC[C@@H]2C#N)C[C@@H]1C 86009952 573225198 /nfs/dbraw/zinc/22/51/98/573225198.db2.gz GQYNBMISWBNAEH-WRWGMCAJSA-N 0 3 192.306 2.266 10 30 AEEEHN CC[C@H](C)N(C[C@@H](C)C#N)C1CC1 308312517 573225994 /nfs/dbraw/zinc/22/59/94/573225994.db2.gz SGYBLJJOVDZSHO-UWVGGRQHSA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C)(C)NCC1(C#N)CCC1 258597752 573226015 /nfs/dbraw/zinc/22/60/15/573226015.db2.gz HCDXMKWYYCLFCM-UHFFFAOYSA-N 0 3 166.268 2.068 10 30 AEEEHN C=C[C@H](C)CN(C)c1ccncc1 308338841 573273707 /nfs/dbraw/zinc/27/37/07/573273707.db2.gz PSIHSXLDAAQFOX-JTQLQIEISA-N 0 3 176.263 2.340 10 30 AEEEHN C=C(CC)CN1CCC[C@@H]1CF 393499062 573274481 /nfs/dbraw/zinc/27/44/81/573274481.db2.gz XMIFQDFEVNIFLQ-SNVBAGLBSA-N 0 3 171.259 2.387 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@H](N)CC=C(C)C 715758452 573291552 /nfs/dbraw/zinc/29/15/52/573291552.db2.gz NBVHYVUBEKAURI-WDEREUQCSA-N 0 3 195.306 2.451 10 30 AEEEHN C=CC[C@H](C)C(=O)[C@@H](N)CC=C(C)C 715758438 573291854 /nfs/dbraw/zinc/29/18/54/573291854.db2.gz NBVHYVUBEKAURI-QWRGUYRKSA-N 0 3 195.306 2.451 10 30 AEEEHN CC1(C)CN(C2CC2)CC[C@H]1C#N 259405621 573292007 /nfs/dbraw/zinc/29/20/07/573292007.db2.gz YACLDVWTHNTOIK-VIFPVBQESA-N 0 3 178.279 2.020 10 30 AEEEHN CCCN1CC[C@H](C#N)C1(C)C 259407761 573298516 /nfs/dbraw/zinc/29/85/16/573298516.db2.gz MSHGQWNGKNYICQ-SECBINFHSA-N 0 3 166.268 2.020 10 30 AEEEHN CN[C@]1(C)CC[C@H](C(C)C)CC1=NO 308344128 573314585 /nfs/dbraw/zinc/31/45/85/573314585.db2.gz SMRCKJQNYXIPKU-GXSJLCMTSA-N 0 3 198.310 2.251 10 30 AEEEHN CN[C@H](C1CCC1)[C@H](C#N)C(C)C 259081843 573314594 /nfs/dbraw/zinc/31/45/94/573314594.db2.gz CQDJTNCPEUSWRS-GHMZBOCLSA-N 0 3 180.295 2.170 10 30 AEEEHN CC[C@H](CC#N)N[C@@H]1[C@H]2CCCC[C@H]21 308549940 573329785 /nfs/dbraw/zinc/32/97/85/573329785.db2.gz XDJYMTQKNCDFLA-WYUUTHIRSA-N 0 3 192.306 2.457 10 30 AEEEHN C=C(Cl)CNC[C@@H](C)C1CC1 132790894 573338212 /nfs/dbraw/zinc/33/82/12/573338212.db2.gz IDCCZBQEKFRSPG-SSDOTTSWSA-N 0 3 173.687 2.375 10 30 AEEEHN CCC(C)(C)NC[C@H](C#N)CCC#N 308554558 573342726 /nfs/dbraw/zinc/34/27/26/573342726.db2.gz YVIAYWZYZWARAF-JTQLQIEISA-N 0 3 193.294 2.208 10 30 AEEEHN C#CCN(CCCSCC)C1CC1 308366646 573371260 /nfs/dbraw/zinc/37/12/60/573371260.db2.gz OHCSHOVNXXQDPM-UHFFFAOYSA-N 0 3 197.347 2.227 10 30 AEEEHN C=CC[C@@H](C)C(=O)[C@](C)(CC)N(C)C 715790539 573388823 /nfs/dbraw/zinc/38/88/23/573388823.db2.gz ZRGMNRGFEJCUKV-PWSUYJOCSA-N 0 3 197.322 2.498 10 30 AEEEHN C[C@@H](N)c1cc2c(cc1C#N)CCC2 238386081 573398072 /nfs/dbraw/zinc/39/80/72/573398072.db2.gz QNWJFRNULASDBS-MRVPVSSYSA-N 0 3 186.258 2.067 10 30 AEEEHN CCCCNC[C@H](C#N)C(C)C 258643007 573398680 /nfs/dbraw/zinc/39/86/80/573398680.db2.gz LYFCBYZLQKYISD-JTQLQIEISA-N 0 3 168.284 2.172 10 30 AEEEHN CCCCNC[C@@H](C#N)C(C)C 258643009 573398691 /nfs/dbraw/zinc/39/86/91/573398691.db2.gz LYFCBYZLQKYISD-SNVBAGLBSA-N 0 3 168.284 2.172 10 30 AEEEHN C=CC[C@H](C)[C@@H](N)c1ncccc1F 715792202 573399323 /nfs/dbraw/zinc/39/93/23/573399323.db2.gz AAFBQWIDLIPKBU-WCBMZHEXSA-N 0 3 194.253 2.433 10 30 AEEEHN CN[C@H](CC#N)C1CCCCC1 259096642 573406356 /nfs/dbraw/zinc/40/63/56/573406356.db2.gz ACCMEAFKWUMAHJ-SNVBAGLBSA-N 0 3 166.268 2.068 10 30 AEEEHN CC[C@H](C#N)CNCC(C)(C)C 259101766 573412745 /nfs/dbraw/zinc/41/27/45/573412745.db2.gz WXTLXZZLJICVBG-SECBINFHSA-N 0 3 168.284 2.172 10 30 AEEEHN C[C@@H](N)c1[nH]c2ccccc2c1C#N 238383204 573416668 /nfs/dbraw/zinc/41/66/68/573416668.db2.gz AFWYKGYYVLAASF-SSDOTTSWSA-N 0 3 185.230 2.059 10 30 AEEEHN CC[C@H]1C[C@H](C#N)CN1C(C)C 107222265 573421079 /nfs/dbraw/zinc/42/10/79/573421079.db2.gz YVPOSAMHWZAOIW-ZJUUUORDSA-N 0 3 166.268 2.019 10 30 AEEEHN N#CCc1ccc2cnc(C3CC3)n2c1 214886870 573420631 /nfs/dbraw/zinc/42/06/31/573420631.db2.gz GWYRLONDTCRWNF-UHFFFAOYSA-N 0 3 197.241 2.278 10 30 AEEEHN C=C(CC)C[C@H](NC)c1cncn1C 126192933 573423785 /nfs/dbraw/zinc/42/37/85/573423785.db2.gz HKAKSYPSEATJLK-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN CNCC#Cc1cccc2ccccc12 126193489 573427332 /nfs/dbraw/zinc/42/73/32/573427332.db2.gz WXQGSIWOJRSNSP-UHFFFAOYSA-N 0 3 195.265 2.411 10 30 AEEEHN C=C[C@@H](N)c1cccc(OC)c1C 238393087 573431065 /nfs/dbraw/zinc/43/10/65/573431065.db2.gz RQOLQYUAZOVGDB-SNVBAGLBSA-N 0 3 177.247 2.189 10 30 AEEEHN C#CC[C@@H](NCC)c1cncc(C)c1 158414495 573434535 /nfs/dbraw/zinc/43/45/35/573434535.db2.gz WMSVSKPZYYQHSN-GFCCVEGCSA-N 0 3 188.274 2.064 10 30 AEEEHN N[C@H](CS)c1ccccc1Cl 258343772 573446592 /nfs/dbraw/zinc/44/65/92/573446592.db2.gz ZJAZUYQRBMYPKQ-MRVPVSSYSA-N 0 3 187.695 2.270 10 30 AEEEHN Cc1ccc(C(C#N)c2ccncn2)o1 259100379 573468592 /nfs/dbraw/zinc/46/85/92/573468592.db2.gz JUSZIMAAEDNNAR-SECBINFHSA-N 0 3 199.213 2.034 10 30 AEEEHN N#C[C@@H]1CCN[C@@H](c2ccccc2)C1 258499070 573468215 /nfs/dbraw/zinc/46/82/15/573468215.db2.gz FWHOMCZNHZTXNH-ZYHUDNBSSA-N 0 3 186.258 2.251 10 30 AEEEHN C=CCn1cncc1[C@@H](N)CC(C)C 130100121 573468641 /nfs/dbraw/zinc/46/86/41/573468641.db2.gz AYHWTVHCABHJDS-JTQLQIEISA-N 0 3 193.294 2.115 10 30 AEEEHN N#C[C@H]1CCN[C@H](c2ccccc2)C1 258499065 573469231 /nfs/dbraw/zinc/46/92/31/573469231.db2.gz FWHOMCZNHZTXNH-JQWIXIFHSA-N 0 3 186.258 2.251 10 30 AEEEHN C=C[C@@H]1N[C@H](C)Cc2ccccc21 238409593 573469837 /nfs/dbraw/zinc/46/98/37/573469837.db2.gz HLEARAYVZNEFEZ-SKDRFNHKSA-N 0 3 173.259 2.448 10 30 AEEEHN C=C[C@H]1N[C@H](C)Cc2ccccc21 238409345 573469997 /nfs/dbraw/zinc/46/99/97/573469997.db2.gz HLEARAYVZNEFEZ-BXKDBHETSA-N 0 3 173.259 2.448 10 30 AEEEHN CC[C@@H](C1CC1)N(C)C[C@@H](C)C#N 308391222 573473373 /nfs/dbraw/zinc/47/33/73/573473373.db2.gz ZRNRUERDIVCKGX-ONGXEEELSA-N 0 3 180.295 2.266 10 30 AEEEHN Cc1ccc(C(C#N)c2ccncn2)o1 259100382 573473866 /nfs/dbraw/zinc/47/38/66/573473866.db2.gz JUSZIMAAEDNNAR-VIFPVBQESA-N 0 3 199.213 2.034 10 30 AEEEHN C=CCO[C@H](C)CNc1ccncc1 308596085 573479918 /nfs/dbraw/zinc/47/99/18/573479918.db2.gz RVFXEPXVBKYNHB-SNVBAGLBSA-N 0 3 192.262 2.085 10 30 AEEEHN C#C[C@H](CCC)NC/C=C\Cl 393528091 573486011 /nfs/dbraw/zinc/48/60/11/573486011.db2.gz GYVATWKDBBPUHH-WILPJHFFSA-N 0 3 171.671 2.130 10 30 AEEEHN C#CCNCc1ccc(CCC)cc1 308599662 573486137 /nfs/dbraw/zinc/48/61/37/573486137.db2.gz NVKWJVJXUJXGDQ-UHFFFAOYSA-N 0 3 187.286 2.362 10 30 AEEEHN C[C@H](N)c1cc(Cl)ccc1C#N 238418344 573501334 /nfs/dbraw/zinc/50/13/34/573501334.db2.gz PCHXXMKXVUKVTA-LURJTMIESA-N 0 3 180.638 2.231 10 30 AEEEHN CC[C@@H](C)N1CC[C@H](C#N)C1(C)C 259482807 573508765 /nfs/dbraw/zinc/50/87/65/573508765.db2.gz ROINEFMUJQSQIY-NXEZZACHSA-N 0 3 180.295 2.409 10 30 AEEEHN CC[C@H](C)N1CC[C@@H](C#N)C1(C)C 259482811 573509044 /nfs/dbraw/zinc/50/90/44/573509044.db2.gz ROINEFMUJQSQIY-UWVGGRQHSA-N 0 3 180.295 2.409 10 30 AEEEHN C[C@@H](N)c1cc(Cl)ccc1C#N 238420333 573509342 /nfs/dbraw/zinc/50/93/42/573509342.db2.gz PCHXXMKXVUKVTA-ZCFIWIBFSA-N 0 3 180.638 2.231 10 30 AEEEHN CN[C@@H](CC(C)C)C(C)(C)C#N 259614193 573532010 /nfs/dbraw/zinc/53/20/10/573532010.db2.gz YNZGIVVKHNJXMF-VIFPVBQESA-N 0 3 168.284 2.170 10 30 AEEEHN CC[C@H](C)N1C[C@@H](C#N)CC1(C)C 259490385 573532023 /nfs/dbraw/zinc/53/20/23/573532023.db2.gz SBTCATXXBZQJRX-VHSXEESVSA-N 0 3 180.295 2.409 10 30 AEEEHN CC(C#N)C(=O)C[C@@H]1CC[C@@H]2C[C@H]12 717644622 573532192 /nfs/dbraw/zinc/53/21/92/573532192.db2.gz FGBGDVJWZRLZML-IMSYWVGJSA-N 0 3 177.247 2.151 10 30 AEEEHN C#C[C@H](NCC)c1ccc2c(c1)CCC2 130312395 573537559 /nfs/dbraw/zinc/53/75/59/573537559.db2.gz JRJUTUDRVDSQON-AWEZNQCLSA-N 0 3 199.297 2.459 10 30 AEEEHN CC[C@H](C#N)CN(C)C(C)(C)C 259119127 573546562 /nfs/dbraw/zinc/54/65/62/573546562.db2.gz YHKYIXDGEUHPCJ-SECBINFHSA-N 0 3 168.284 2.266 10 30 AEEEHN C#CCC[C@@H](N)c1ncccc1Cl 236305782 573549656 /nfs/dbraw/zinc/54/96/56/573549656.db2.gz BJJBZHOPBWKOQX-SECBINFHSA-N 0 3 194.665 2.148 10 30 AEEEHN CC1(C)CCN(C2CC2)C[C@@H]1CC#N 259121311 573554984 /nfs/dbraw/zinc/55/49/84/573554984.db2.gz CEAURAJRHDJTKF-JTQLQIEISA-N 0 3 192.306 2.411 10 30 AEEEHN C#CCCCNCC1(C#N)CCCC1 405103154 573555029 /nfs/dbraw/zinc/55/50/29/573555029.db2.gz OHACUXLWIPKYKS-UHFFFAOYSA-N 0 3 190.290 2.073 10 30 AEEEHN CCN([C@@H](C)CC#N)C(C)(C)C 394353099 573560150 /nfs/dbraw/zinc/56/01/50/573560150.db2.gz IGUQIAGAFQFVOE-VIFPVBQESA-N 0 3 168.284 2.409 10 30 AEEEHN C[C@H](N)c1cc2c(cc1C#N)CCC2 238439833 573560530 /nfs/dbraw/zinc/56/05/30/573560530.db2.gz QNWJFRNULASDBS-QMMMGPOBSA-N 0 3 186.258 2.067 10 30 AEEEHN C[C@H](N)c1cc2c(C#N)cccc2[nH]1 238440004 573560669 /nfs/dbraw/zinc/56/06/69/573560669.db2.gz DDBLVWNNBJTSCJ-ZETCQYMHSA-N 0 3 185.230 2.059 10 30 AEEEHN CC(C)N1C[C@@H](C#N)CCC1(C)C 259513762 573568644 /nfs/dbraw/zinc/56/86/44/573568644.db2.gz USPZFBLRNLRRDQ-SNVBAGLBSA-N 0 3 180.295 2.409 10 30 AEEEHN CSc1ccc([C@H]([S-])C[NH3+])cc1 259116755 573583832 /nfs/dbraw/zinc/58/38/32/573583832.db2.gz GKBWTZAJKUWMIN-SECBINFHSA-N 0 3 199.344 2.338 10 30 AEEEHN CC[C@@H](C#N)[C@H](N)C1CCCC1 259516798 573587484 /nfs/dbraw/zinc/58/74/84/573587484.db2.gz RYRKQPIYXWPJDN-WPRPVWTQSA-N 0 3 166.268 2.054 10 30 AEEEHN CN(C)[C@@H](C1CCC1)C1(C#N)CC1 259518406 573590800 /nfs/dbraw/zinc/59/08/00/573590800.db2.gz MNZRETXPFLFFOJ-JTQLQIEISA-N 0 3 178.279 2.020 10 30 AEEEHN N#C[C@H]1CCN[C@@H](c2cccs2)C1 259518984 573594148 /nfs/dbraw/zinc/59/41/48/573594148.db2.gz ARBYXYMCOCCXAI-DTWKUNHWSA-N 0 3 192.287 2.312 10 30 AEEEHN C=C[C@H](NC)c1cc(C)ccc1OC 130562958 573598521 /nfs/dbraw/zinc/59/85/21/573598521.db2.gz YQZVGJPGHMZSTP-NSHDSACASA-N 0 3 191.274 2.450 10 30 AEEEHN C=C[C@H](NC)c1ccc(OC)c(F)c1 130488218 573602192 /nfs/dbraw/zinc/60/21/92/573602192.db2.gz QMQCBQVXQHHSNS-JTQLQIEISA-N 0 3 195.237 2.281 10 30 AEEEHN C=C[C@H](C)n1cncc1[C@H](N)CC 130593869 573611535 /nfs/dbraw/zinc/61/15/35/573611535.db2.gz DLRNGLOUGSGVML-DTWKUNHWSA-N 0 3 179.267 2.040 10 30 AEEEHN CCCCCN1CC[C@H](C#N)[C@H]1C 259143478 573632747 /nfs/dbraw/zinc/63/27/47/573632747.db2.gz DUYVAKKCHGYDSL-GHMZBOCLSA-N 0 3 180.295 2.411 10 30 AEEEHN CN[C@H](C1CCCC1)C1(C#N)CC1 259148226 573639085 /nfs/dbraw/zinc/63/90/85/573639085.db2.gz CIPKCRMIJYOEQW-SNVBAGLBSA-N 0 3 178.279 2.068 10 30 AEEEHN C=C[C@@H]([NH3+])c1cc(C)c(C)cc1[O-] 238474993 573668988 /nfs/dbraw/zinc/66/89/88/573668988.db2.gz KPKLHVVDPNQSNW-SNVBAGLBSA-N 0 3 177.247 2.195 10 30 AEEEHN C=CCN[C@@H](CC(F)(F)F)C1CC1 308413073 573679600 /nfs/dbraw/zinc/67/96/00/573679600.db2.gz PKUBCZABBHPCDG-QMMMGPOBSA-N 0 3 193.212 2.493 10 30 AEEEHN CN[C@H](CS)c1ccccc1F 259155662 573682118 /nfs/dbraw/zinc/68/21/18/573682118.db2.gz NJNRPFCSSSXGTC-SECBINFHSA-N 0 3 185.267 2.016 10 30 AEEEHN C=C(C)CN(CC)Cc1ccc[nH]1 393548096 573682714 /nfs/dbraw/zinc/68/27/14/573682714.db2.gz KQBCAOHDKYFPSF-UHFFFAOYSA-N 0 3 178.279 2.413 10 30 AEEEHN C#CC[C@H](C)N[C@@H](C)c1cnoc1C 308672503 573686253 /nfs/dbraw/zinc/68/62/53/573686253.db2.gz VKGYJQBYXDLMJW-IUCAKERBSA-N 0 3 192.262 2.045 10 30 AEEEHN CC(C)[C@H](C#N)[C@H](C(C)C)N(C)C 259166198 573697769 /nfs/dbraw/zinc/69/77/69/573697769.db2.gz LYZSYNVMAXMXIJ-QWRGUYRKSA-N 0 3 182.311 2.368 10 30 AEEEHN CC(C)[C@H](C#N)[C@@H](C(C)C)N(C)C 259166202 573697788 /nfs/dbraw/zinc/69/77/88/573697788.db2.gz LYZSYNVMAXMXIJ-WDEREUQCSA-N 0 3 182.311 2.368 10 30 AEEEHN CC(C)[C@@H](C#N)[C@@H](C(C)C)N(C)C 259166188 573698290 /nfs/dbraw/zinc/69/82/90/573698290.db2.gz LYZSYNVMAXMXIJ-GHMZBOCLSA-N 0 3 182.311 2.368 10 30 AEEEHN C=CC[C@H](N)c1ccc(C)cc1C#N 238477670 573706951 /nfs/dbraw/zinc/70/69/51/573706951.db2.gz HCQKMYJMOFMPAC-LBPRGKRZSA-N 0 3 186.258 2.443 10 30 AEEEHN Cc1cc([C@H]([S-])C[NH3+])ccc1F 259172200 573712043 /nfs/dbraw/zinc/71/20/43/573712043.db2.gz JJZIMVNSARPSHK-SECBINFHSA-N 0 3 185.267 2.064 10 30 AEEEHN C[C@H](C1CC1)[C@H](N)C#Cc1ccccc1 313576221 573731649 /nfs/dbraw/zinc/73/16/49/573731649.db2.gz UJFVSFVNMYSTEY-BXUZGUMPSA-N 0 3 199.297 2.412 10 30 AEEEHN CC(C)[C@H]1CCN([C@@H](C)CC#N)C1 108293314 573739003 /nfs/dbraw/zinc/73/90/03/573739003.db2.gz NIYOJELDTIQAHU-QWRGUYRKSA-N 0 3 180.295 2.266 10 30 AEEEHN CC[C@@H]1[C@@H](C#N)CCCCN1C 259619468 573744846 /nfs/dbraw/zinc/74/48/46/573744846.db2.gz HVLJSUAZLJEQQC-NXEZZACHSA-N 0 3 166.268 2.020 10 30 AEEEHN C=CCCC[C@H](NC)c1nccn1C 122451683 573744904 /nfs/dbraw/zinc/74/49/04/573744904.db2.gz JCIIMAFBGWSDBE-JTQLQIEISA-N 0 3 193.294 2.037 10 30 AEEEHN C[C@@H](CC#N)N1C[C@H](C)CC[C@H]1C 84047676 573748251 /nfs/dbraw/zinc/74/82/51/573748251.db2.gz HPMDRMDFSRDWKB-MXWKQRLJSA-N 0 3 180.295 2.409 10 30 AEEEHN C=C(CC)CC(=O)C1(NC)CCCC1 308701391 573748337 /nfs/dbraw/zinc/74/83/37/573748337.db2.gz VCADDFKHJYQDIF-UHFFFAOYSA-N 0 3 195.306 2.444 10 30 AEEEHN CC1CCN(C/C=C/CS)CC1 87054297 573756394 /nfs/dbraw/zinc/75/63/94/573756394.db2.gz YZAHLQLKQYLDHB-NSCUHMNNSA-N 0 3 185.336 2.204 10 30 AEEEHN N#CC1(CNCC2CCC2)CCC1 258928610 573768272 /nfs/dbraw/zinc/76/82/72/573768272.db2.gz OGOUOXFFWFZIPA-UHFFFAOYSA-N 0 3 178.279 2.070 10 30 AEEEHN Cc1ccccc1[C@@H]1C[C@H](C#N)CN1 108339902 573769668 /nfs/dbraw/zinc/76/96/68/573769668.db2.gz DZJWQSRXOUSOME-PWSUYJOCSA-N 0 3 186.258 2.169 10 30 AEEEHN C=C[C@@H](C)NC/C=C/c1ccco1 127088990 573769765 /nfs/dbraw/zinc/76/97/65/573769765.db2.gz STJUVIVXRGGTPU-DFVUYQKZSA-N 0 3 177.247 2.457 10 30 AEEEHN C=NCCNc1ccc(C)cc1 238520986 573794185 /nfs/dbraw/zinc/79/41/85/573794185.db2.gz JHPHTKFRMGSYCC-UHFFFAOYSA-N 0 3 162.236 2.108 10 30 AEEEHN CCC(CC)N1CCC[C@H](C#N)C1 87157234 573804104 /nfs/dbraw/zinc/80/41/04/573804104.db2.gz UJOVEYNTZGKVKJ-SNVBAGLBSA-N 0 3 180.295 2.411 10 30 AEEEHN CC[C@H](C#N)CN(C)CC(C)C 258958295 573805308 /nfs/dbraw/zinc/80/53/08/573805308.db2.gz KBNHFLDHROJBKR-SNVBAGLBSA-N 0 3 168.284 2.124 10 30 AEEEHN C[Si](C)(C)C#C[C@@H]1CCCCN1 238515554 573804615 /nfs/dbraw/zinc/80/46/15/573804615.db2.gz OXXXLUJVNNEPIA-JTQLQIEISA-N 0 3 181.355 2.009 10 30 AEEEHN CC[C@@H](C#N)[C@H](CC(C)C)NC 259194103 573804737 /nfs/dbraw/zinc/80/47/37/573804737.db2.gz KMTMTTPZURLTFN-UWVGGRQHSA-N 0 3 168.284 2.170 10 30 AEEEHN C#CC[C@H](C)NCc1ccc(CC)o1 131270886 573805188 /nfs/dbraw/zinc/80/51/88/573805188.db2.gz XWJZLBRCZLAWKN-JTQLQIEISA-N 0 3 191.274 2.343 10 30 AEEEHN CN(C)[C@@H](C1CCC1)C1(C#N)CCC1 259571390 573806864 /nfs/dbraw/zinc/80/68/64/573806864.db2.gz PGNDMPIAISVHNY-NSHDSACASA-N 0 3 192.306 2.411 10 30 AEEEHN Cc1ccccc1[C@H](N)CCC#N 259196302 573806976 /nfs/dbraw/zinc/80/69/76/573806976.db2.gz DGVISXGRZFXPMT-LLVKDONJSA-N 0 3 174.247 2.299 10 30 AEEEHN CC(C)N1CCCC[C@@H]1/C=C\CC=O 258138623 573807582 /nfs/dbraw/zinc/80/75/82/573807582.db2.gz JNIIEOQWUTURQS-HXUAIIEXSA-N 0 3 195.306 2.395 10 30 AEEEHN CC(C)N1CCCC[C@H]1/C=C\CC=O 258138627 573810416 /nfs/dbraw/zinc/81/04/16/573810416.db2.gz JNIIEOQWUTURQS-LDJOOVGUSA-N 0 3 195.306 2.395 10 30 AEEEHN CC(C)(C)[C@@H](C=O)N1CCCCC1 238130515 573826820 /nfs/dbraw/zinc/82/68/20/573826820.db2.gz XUVZZFWQKDSPIT-SNVBAGLBSA-N 0 3 183.295 2.086 10 30 AEEEHN C=C(C)CC(=O)C1(NC)CCCC1 393564240 573830376 /nfs/dbraw/zinc/83/03/76/573830376.db2.gz GOPTWGZOBHCWOT-UHFFFAOYSA-N 0 3 181.279 2.054 10 30 AEEEHN C#C/C=C/NCCCC(C)C 238141768 573835974 /nfs/dbraw/zinc/83/59/74/573835974.db2.gz SITANVOHGBSSND-VMPITWQZSA-N 0 3 151.253 2.159 10 30 AEEEHN C=CCN(C)Cc1ccc(N)c(C)c1 131425192 573837795 /nfs/dbraw/zinc/83/77/95/573837795.db2.gz MCLYMNUXXQXTIS-UHFFFAOYSA-N 0 3 190.290 2.195 10 30 AEEEHN CCc1nc(C)c2cc(CC#N)ccn12 214981661 573841821 /nfs/dbraw/zinc/84/18/21/573841821.db2.gz KMLHDDSTPNNGNL-UHFFFAOYSA-N 0 3 199.257 2.271 10 30 AEEEHN C=CC[C@H]([NH3+])c1c(C)cccc1[O-] 238536054 573846886 /nfs/dbraw/zinc/84/68/86/573846886.db2.gz FUQUWBXPZKHUBQ-VIFPVBQESA-N 0 3 177.247 2.277 10 30 AEEEHN C=CCC[C@H](N)c1ncccc1F 131345115 573847818 /nfs/dbraw/zinc/84/78/18/573847818.db2.gz FTYKTSWLUHNADJ-VIFPVBQESA-N 0 3 180.226 2.187 10 30 AEEEHN CC(C)[C@H](N)c1cc(C#N)cs1 238169699 573858936 /nfs/dbraw/zinc/85/89/36/573858936.db2.gz RTWPQNVIDRTQPB-VIFPVBQESA-N 0 3 180.276 2.276 10 30 AEEEHN C=CC[C@@H](N)c1cccc(C)c1C#N 238546507 573859213 /nfs/dbraw/zinc/85/92/13/573859213.db2.gz JSVUBJXHKXODMY-GFCCVEGCSA-N 0 3 186.258 2.443 10 30 AEEEHN N#CC[C@@]12CCCC[C@@H]1CCCN2 238549263 573865182 /nfs/dbraw/zinc/86/51/82/573865182.db2.gz DIBXPGFZWZLUKW-MNOVXSKESA-N 0 3 178.279 2.212 10 30 AEEEHN CCCCN(CC=O)[C@@H](C)CC 43803545 573865544 /nfs/dbraw/zinc/86/55/44/573865544.db2.gz CIXVYDIINQTVGA-JTQLQIEISA-N 0 3 171.284 2.086 10 30 AEEEHN C#CCC[C@@H](N)c1ccc(Cl)cn1 87286038 573865576 /nfs/dbraw/zinc/86/55/76/573865576.db2.gz ZJUKAFLWAPGMFF-SECBINFHSA-N 0 3 194.665 2.148 10 30 AEEEHN CCCCCN(CC=O)C(C)C 43803522 573866092 /nfs/dbraw/zinc/86/60/92/573866092.db2.gz MRQGTZAGGGEZSG-UHFFFAOYSA-N 0 3 171.284 2.086 10 30 AEEEHN CCCCN(CC=O)[C@H](C)CC 43803547 573866173 /nfs/dbraw/zinc/86/61/73/573866173.db2.gz CIXVYDIINQTVGA-SNVBAGLBSA-N 0 3 171.284 2.086 10 30 AEEEHN N#CC[C@@H]1CC[C@H](c2ccccc2)N1 238549104 573866221 /nfs/dbraw/zinc/86/62/21/573866221.db2.gz WSVWQVCVRYPIIY-NWDGAFQWSA-N 0 3 186.258 2.393 10 30 AEEEHN N#CC[C@@H]1CC[C@@H](c2ccccc2)N1 238549086 573866503 /nfs/dbraw/zinc/86/65/03/573866503.db2.gz WSVWQVCVRYPIIY-RYUDHWBXSA-N 0 3 186.258 2.393 10 30 AEEEHN N#CC[C@@]12CCCC[C@H]1CCCN2 238549280 573867031 /nfs/dbraw/zinc/86/70/31/573867031.db2.gz DIBXPGFZWZLUKW-QWRGUYRKSA-N 0 3 178.279 2.212 10 30 AEEEHN C=CCN(C)Cc1ccc(C)c(N)c1 131464788 573876310 /nfs/dbraw/zinc/87/63/10/573876310.db2.gz ZJVQDGYKEMKNBM-UHFFFAOYSA-N 0 3 190.290 2.195 10 30 AEEEHN C=C(C)C[C@@H](NC)c1ncccc1F 131457841 573878374 /nfs/dbraw/zinc/87/83/74/573878374.db2.gz QUMVWUBHEFYVFX-SNVBAGLBSA-N 0 3 194.253 2.447 10 30 AEEEHN CCCC(C#N)C(=O)C(C)C 84426747 573884262 /nfs/dbraw/zinc/88/42/62/573884262.db2.gz BKMDVFNDSGOGHI-MRVPVSSYSA-N 0 3 153.225 2.151 10 30 AEEEHN CCCC(C#N)C(=O)C(C)C 84426746 573886323 /nfs/dbraw/zinc/88/63/23/573886323.db2.gz BKMDVFNDSGOGHI-QMMMGPOBSA-N 0 3 153.225 2.151 10 30 AEEEHN N#Cc1cccc([C@H]2CCN2)c1Cl 238560680 573886469 /nfs/dbraw/zinc/88/64/69/573886469.db2.gz LDLULQZCQHUFRO-SECBINFHSA-N 0 3 192.649 2.246 10 30 AEEEHN N#Cc1ccc(F)cc1C1(N)CCC1 238562086 573891198 /nfs/dbraw/zinc/89/11/98/573891198.db2.gz RGOPEVVQKYGJBF-UHFFFAOYSA-N 0 3 190.221 2.035 10 30 AEEEHN CSC[C@H](C)N[C@H]1CCC[C@@H]1C#N 127521661 573891335 /nfs/dbraw/zinc/89/13/35/573891335.db2.gz QQPNBOPIJLNKMT-AEJSXWLSSA-N 0 3 198.335 2.020 10 30 AEEEHN CN(C)[C@H](CCS)c1ccccn1 259225894 573901131 /nfs/dbraw/zinc/90/11/31/573901131.db2.gz ARBBZSZSMUFQKD-SNVBAGLBSA-N 0 3 196.319 2.004 10 30 AEEEHN C=C[C@](C)(C(C)C)[C@H]1NCCS1 238192859 573902746 /nfs/dbraw/zinc/90/27/46/573902746.db2.gz NHTAAQJKGKNUNO-VHSXEESVSA-N 0 3 185.336 2.497 10 30 AEEEHN Cc1ccsc1[C@@H](N)CCC#N 259225978 573902973 /nfs/dbraw/zinc/90/29/73/573902973.db2.gz FISPNDXGADOSGW-QMMMGPOBSA-N 0 3 180.276 2.360 10 30 AEEEHN CC(C)N1CC[C@H](C#N)C1(C)C 259225246 573903033 /nfs/dbraw/zinc/90/30/33/573903033.db2.gz DETDMBACIBRDIP-SECBINFHSA-N 0 3 166.268 2.019 10 30 AEEEHN CN[C@H](C1CCC1)C1(C#N)CCC1 259584231 573903195 /nfs/dbraw/zinc/90/31/95/573903195.db2.gz XIMMPHFMQHAPJE-SNVBAGLBSA-N 0 3 178.279 2.068 10 30 AEEEHN C#CC[C@@H](C)NCc1occc1C 127446528 573903240 /nfs/dbraw/zinc/90/32/40/573903240.db2.gz ABPYIHDTTNQDFD-SNVBAGLBSA-N 0 3 177.247 2.089 10 30 AEEEHN CC(C)C[C@H](C)N(C)C(=O)C(C)C#N 44826688 573933852 /nfs/dbraw/zinc/93/38/52/573933852.db2.gz JSEOVBXSKYVPBD-ZJUUUORDSA-N 0 3 196.294 2.039 10 30 AEEEHN N#CCC[C@@H](N)c1ccc(F)cc1 259242852 573934167 /nfs/dbraw/zinc/93/41/67/573934167.db2.gz GBMJQUXGNZWZRX-SNVBAGLBSA-N 0 3 178.210 2.129 10 30 AEEEHN CC(C)C[C@@H](C)N(C)C(=O)C(C)C#N 44826687 573934493 /nfs/dbraw/zinc/93/44/93/573934493.db2.gz JSEOVBXSKYVPBD-NXEZZACHSA-N 0 3 196.294 2.039 10 30 AEEEHN C#CCC[C@H](N)c1sc(C)nc1C 235831128 573946489 /nfs/dbraw/zinc/94/64/89/573946489.db2.gz PZXSATLLSDWZFV-VIFPVBQESA-N 0 3 194.303 2.173 10 30 AEEEHN CC(C)N1CC=C(CCS)CC1 257914082 573947991 /nfs/dbraw/zinc/94/79/91/573947991.db2.gz BOTFUYGOBDBJLG-UHFFFAOYSA-N 0 3 185.336 2.347 10 30 AEEEHN CC[C@H](C)N(CCC#N)C(C)C 42530606 573965767 /nfs/dbraw/zinc/96/57/67/573965767.db2.gz YPMIUAAZSZRYOS-JTQLQIEISA-N 0 3 168.284 2.409 10 30 AEEEHN CC(C)N(CC1CC1)C[C@H](C)C#N 42582877 573984485 /nfs/dbraw/zinc/98/44/85/573984485.db2.gz KVZQKEZOKCCZHT-SNVBAGLBSA-N 0 3 180.295 2.266 10 30 AEEEHN CC1=CC(=O)C(C(C)C)=CC1=N 238225743 573984594 /nfs/dbraw/zinc/98/45/94/573984594.db2.gz FSQMAXOKPYJUIN-UHFFFAOYSA-N 0 3 163.220 2.118 10 30 AEEEHN CCC1(CC)CCC(C#N)C1=O 238225766 573985119 /nfs/dbraw/zinc/98/51/19/573985119.db2.gz BZRLFTCVINRKIK-QMMMGPOBSA-N 0 3 165.236 2.295 10 30 AEEEHN C[C@H](CC#N)NC[C@H]1CC=CCC1 45630284 573991038 /nfs/dbraw/zinc/99/10/38/573991038.db2.gz CNXBDIOXMPGCLH-MNOVXSKESA-N 0 3 178.279 2.234 10 30 AEEEHN CCCN1C[C@H](C#N)CC1(C)C 259272252 574008672 /nfs/dbraw/zinc/00/86/72/574008672.db2.gz GCYNOEPBZQQCGR-VIFPVBQESA-N 0 3 166.268 2.020 10 30 AEEEHN C=C[C@H](N)c1cc(F)cnc1Cl 104491381 574008685 /nfs/dbraw/zinc/00/86/85/574008685.db2.gz SQQBBOYSNNQBQM-ZETCQYMHSA-N 0 3 186.617 2.060 10 30 AEEEHN CC[C@@H](N[C@@H](C)CC#N)C(C)C 42588829 574020528 /nfs/dbraw/zinc/02/05/28/574020528.db2.gz VKOMBFHCKDJCAZ-VHSXEESVSA-N 0 3 168.284 2.313 10 30 AEEEHN CC#C[C@@](C)(N)Cc1ccc(F)cc1 143706611 574033026 /nfs/dbraw/zinc/03/30/26/574033026.db2.gz QGAMEJSTTBUGQB-GFCCVEGCSA-N 0 3 191.249 2.109 10 30 AEEEHN CSC(C)(C)CN[C@H](C)CC#N 128179025 574033685 /nfs/dbraw/zinc/03/36/85/574033685.db2.gz DDLXGPHYHUNWOC-MRVPVSSYSA-N 0 3 186.324 2.020 10 30 AEEEHN C#C[C@@H](NC(C)C)c1ccc(F)cc1 306241243 629690613 /nfs/dbraw/zinc/69/06/13/629690613.db2.gz HTTBNDFYTKUNJH-GFCCVEGCSA-N 0 3 191.249 2.498 10 30 AEEEHN CCCCCCC=Nn1cnnc1 308052372 629832129 /nfs/dbraw/zinc/83/21/29/629832129.db2.gz GNWXQJPYCVFICQ-UHFFFAOYSA-N 0 3 180.255 2.082 10 30 AEEEHN C#CCN(CCSC(C)C)C1CC1 308130760 629835448 /nfs/dbraw/zinc/83/54/48/629835448.db2.gz ASNDEPKIYPPQPJ-UHFFFAOYSA-N 0 3 197.347 2.226 10 30 AEEEHN C#CCC1(NCC(=C)Cl)CCC1 933293208 629844324 /nfs/dbraw/zinc/84/43/24/629844324.db2.gz JEHQZWRZQXFLCX-UHFFFAOYSA-N 0 3 183.682 2.275 10 30 AEEEHN C=CC[C@@H]1CCN1Cc1ccncc1 934469745 629887184 /nfs/dbraw/zinc/88/71/84/629887184.db2.gz ZBGQBHZSWAZQBY-GFCCVEGCSA-N 0 3 188.274 2.232 10 30 AEEEHN C=CC[C@H]1CCN1Cc1ccncc1 934469746 629887299 /nfs/dbraw/zinc/88/72/99/629887299.db2.gz ZBGQBHZSWAZQBY-LBPRGKRZSA-N 0 3 188.274 2.232 10 30 AEEEHN CC1=C[C@H](C)C[C@@H](CNCCC#N)C1 235388945 629916537 /nfs/dbraw/zinc/91/65/37/629916537.db2.gz LTKJJWCZAARKAJ-CMPLNLGQSA-N 0 3 192.306 2.482 10 30 AEEEHN CC#CC[NH2+][C@@H](C)c1ccccc1[O-] 162198502 629958910 /nfs/dbraw/zinc/95/89/10/629958910.db2.gz PTMCSKHUBLSLFZ-JTQLQIEISA-N 0 3 189.258 2.066 10 30 AEEEHN C=CC[C@H](C)N[C@@H]1CCC[C@@H]1C#N 162476253 630031231 /nfs/dbraw/zinc/03/12/31/630031231.db2.gz XPRLHTVXSVPVGX-HBNTYKKESA-N 0 3 178.279 2.233 10 30 AEEEHN C=CC[C@H](C)N[C@H]1CCC[C@@H]1C#N 162476519 630031287 /nfs/dbraw/zinc/03/12/87/630031287.db2.gz XPRLHTVXSVPVGX-AXFHLTTASA-N 0 3 178.279 2.233 10 30 AEEEHN N#C[C@H]1CCC[C@H]1NCCCC1CC1 162476939 630031413 /nfs/dbraw/zinc/03/14/13/630031413.db2.gz YAHKADXVLYWIHO-VXGBXAGGSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCC[C@@H]1NCCCC1CC1 162477317 630031703 /nfs/dbraw/zinc/03/17/03/630031703.db2.gz YAHKADXVLYWIHO-RYUDHWBXSA-N 0 3 192.306 2.458 10 30 AEEEHN N#C[C@@H]1CCC[C@H]1NCCCC1CC1 162477067 630032074 /nfs/dbraw/zinc/03/20/74/630032074.db2.gz YAHKADXVLYWIHO-NWDGAFQWSA-N 0 3 192.306 2.458 10 30 AEEEHN C[C@H](CNCCC#N)C(C)(C)C 162800623 630038853 /nfs/dbraw/zinc/03/88/53/630038853.db2.gz DEOYIHNIRJQUHM-SECBINFHSA-N 0 3 168.284 2.172 10 30 AEEEHN C[C@@H](CNCCC#N)C(C)(C)C 162800546 630039331 /nfs/dbraw/zinc/03/93/31/630039331.db2.gz DEOYIHNIRJQUHM-VIFPVBQESA-N 0 3 168.284 2.172 10 30 AEEEHN C=CCCC[NH2+]Cc1ccccc1[O-] 162955651 630053513 /nfs/dbraw/zinc/05/35/13/630053513.db2.gz LFZQIPZGCFXGHF-UHFFFAOYSA-N 0 3 191.274 2.448 10 30 AEEEHN C=CCCN(C)Cc1ccc(OC)o1 893930251 630069620 /nfs/dbraw/zinc/06/96/20/630069620.db2.gz WOSZIYUVUGKHOO-UHFFFAOYSA-N 0 3 195.262 2.296 10 30 AEEEHN C#CCN(CC)Cc1ccccc1 41635695 630078698 /nfs/dbraw/zinc/07/86/98/630078698.db2.gz SYDNYUMVEYXNFC-UHFFFAOYSA-N 0 3 173.259 2.142 10 30 AEEEHN CC(C)[C@H](C)N1CCC[C@H](C#N)C1 306311053 630096598 /nfs/dbraw/zinc/09/65/98/630096598.db2.gz UVRCTSIVOQLXIG-WDEREUQCSA-N 0 3 180.295 2.266 10 30 AEEEHN C=CCN(Cc1cccnc1)C(C)C 727025442 630205380 /nfs/dbraw/zinc/20/53/80/630205380.db2.gz CVEMUJYKBSBUAM-UHFFFAOYSA-N 0 3 190.290 2.478 10 30 AEEEHN C#CCN(CC#C)CCC(C)(C)CC 752074302 630286634 /nfs/dbraw/zinc/28/66/34/630286634.db2.gz AFVNHDFFKHESIU-UHFFFAOYSA-N 0 3 191.318 2.381 10 30 AEEEHN C#CCN(C)Cc1ccc(C)cc1 41635717 630507976 /nfs/dbraw/zinc/50/79/76/630507976.db2.gz CENLKUAPIIECBZ-UHFFFAOYSA-N 0 3 173.259 2.060 10 30 AEEEHN C=CCSCCNCc1ccoc1 163890992 630832077 /nfs/dbraw/zinc/83/20/77/630832077.db2.gz ALUVGLVPVMIUHF-UHFFFAOYSA-N 0 3 197.303 2.288 10 30 AEEEHN C=C(Cl)CNCCSCC 164834301 630834404 /nfs/dbraw/zinc/83/44/04/630834404.db2.gz JOWIHIXMURRXFK-UHFFFAOYSA-N 0 3 179.716 2.082 10 30 AEEEHN C=C[C@@H](C)NCc1ccc(C)nc1 165009498 630837983 /nfs/dbraw/zinc/83/79/83/630837983.db2.gz GUPFTJLJTOFMFJ-SECBINFHSA-N 0 3 176.263 2.054 10 30 AEEEHN C=C[C@H](C)NCc1ccc(C)nc1 165009376 630839356 /nfs/dbraw/zinc/83/93/56/630839356.db2.gz GUPFTJLJTOFMFJ-VIFPVBQESA-N 0 3 176.263 2.054 10 30 AEEEHN C#CCCN1CCc2sccc2C1 82495751 630842806 /nfs/dbraw/zinc/84/28/06/630842806.db2.gz BZDDJANMFGYPFH-UHFFFAOYSA-N 0 3 191.299 2.130 10 30 AEEEHN CC1CCC(CNCCC#N)CC1 58864689 630850124 /nfs/dbraw/zinc/85/01/24/630850124.db2.gz IMWYCLDEYAHNFH-UHFFFAOYSA-N 0 3 180.295 2.316 10 30 AEEEHN C=CCN(CC=C)C/C=C(\C)COC 929259696 630865237 /nfs/dbraw/zinc/86/52/37/630865237.db2.gz KIQUAUPOIZHAHL-KPKJPENVSA-N 0 3 195.306 2.253 10 30 AEEEHN C=CCN(CC=C)C/C=C(/C)COC 929259695 630865854 /nfs/dbraw/zinc/86/58/54/630865854.db2.gz KIQUAUPOIZHAHL-GHXNOFRVSA-N 0 3 195.306 2.253 10 30 AEEEHN C=C(C)CNCc1csc(C#N)c1 922115150 630866677 /nfs/dbraw/zinc/86/66/77/630866677.db2.gz SLIDSRRZQQVEQE-UHFFFAOYSA-N 0 3 192.287 2.285 10 30 AEEEHN C/C=C\CNCc1csc(C#N)c1 922293260 630873640 /nfs/dbraw/zinc/87/36/40/630873640.db2.gz JJQKSEZVWBGRHI-IHWYPQMZSA-N 0 3 192.287 2.285 10 30 AEEEHN C/C=C/CNCc1csc(C#N)c1 922293262 630875860 /nfs/dbraw/zinc/87/58/60/630875860.db2.gz JJQKSEZVWBGRHI-NSCUHMNNSA-N 0 3 192.287 2.285 10 30 AEEEHN C#CCC1(NCc2ccoc2)CCC1 922998147 630890841 /nfs/dbraw/zinc/89/08/41/630890841.db2.gz QKWDRNRXNPTXCS-UHFFFAOYSA-N 0 3 189.258 2.315 10 30 AEEEHN C#CCC1(NCc2ccco2)CCC1 923000452 630891148 /nfs/dbraw/zinc/89/11/48/630891148.db2.gz KCGYBBNBWVEFCV-UHFFFAOYSA-N 0 3 189.258 2.315 10 30 AEEEHN CC(CCCC(C)C)=Nn1cnnc1 764638767 630911173 /nfs/dbraw/zinc/91/11/73/630911173.db2.gz AZBOSTDFRHZTNP-UHFFFAOYSA-N 0 3 194.282 2.328 10 30 AEEEHN C#CCCCN1CC2(C1)CC(F)(F)C2 766938563 630912042 /nfs/dbraw/zinc/91/20/42/630912042.db2.gz RAPNSSDRBBHTIF-UHFFFAOYSA-N 0 3 199.244 2.131 10 30 AEEEHN C=CCCN(C)Cc1[nH]c(C)nc1C 930252925 630997679 /nfs/dbraw/zinc/99/76/79/630997679.db2.gz HSSSOCZLHVJPFX-UHFFFAOYSA-N 0 3 193.294 2.034 10 30 AEEEHN C=C(Cl)CN[C@H](C)C(C)(C)OC 300765207 631023839 /nfs/dbraw/zinc/02/38/39/631023839.db2.gz OGIHJIKWEXCRAW-MRVPVSSYSA-N 0 3 191.702 2.142 10 30 AEEEHN C=C(CC)CN[C@H](C)c1ccnnc1 926549845 631065429 /nfs/dbraw/zinc/06/54/29/631065429.db2.gz ISHJFWKAEJDCFM-SNVBAGLBSA-N 0 3 191.278 2.093 10 30 AEEEHN C=C(CC)CN[C@@H](C)c1ccnnc1 926549844 631067042 /nfs/dbraw/zinc/06/70/42/631067042.db2.gz ISHJFWKAEJDCFM-JTQLQIEISA-N 0 3 191.278 2.093 10 30 AEEEHN C=C1CCN(C/C=C(\C)COC)CC1 929602865 631096964 /nfs/dbraw/zinc/09/69/64/631096964.db2.gz FBQSHYXTFRQZHX-WUXMJOGZSA-N 0 3 195.306 2.231 10 30 AEEEHN C=C1CCN(C/C=C(/C)COC)CC1 929602862 631097304 /nfs/dbraw/zinc/09/73/04/631097304.db2.gz FBQSHYXTFRQZHX-SDQBBNPISA-N 0 3 195.306 2.231 10 30 AEEEHN C=C(C)CN(C)CCc1ccns1 930245774 631110393 /nfs/dbraw/zinc/11/03/93/631110393.db2.gz ZFBYDKWRMUITEF-UHFFFAOYSA-N 0 3 196.319 2.194 10 30 AEEEHN C[C@@H](C1CC1)N1CC[C@](C)(C#N)C1 931062501 631119514 /nfs/dbraw/zinc/11/95/14/631119514.db2.gz JTOOOYCWDPOGBK-GXSJLCMTSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H](C1CC1)N1CC[C@@](C)(C#N)C1 931062502 631120007 /nfs/dbraw/zinc/12/00/07/631120007.db2.gz JTOOOYCWDPOGBK-KOLCDFICSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@@H](C1CC1)N1CC[C@@](C)(C#N)C1 931062504 631121017 /nfs/dbraw/zinc/12/10/17/631121017.db2.gz JTOOOYCWDPOGBK-ONGXEEELSA-N 0 3 178.279 2.020 10 30 AEEEHN C[C@H](C1CC1)N1CC[C@](C)(C#N)C1 931062503 631121148 /nfs/dbraw/zinc/12/11/48/631121148.db2.gz JTOOOYCWDPOGBK-MWLCHTKSSA-N 0 3 178.279 2.020 10 30 AEEEHN C#CCN1CCSC[C@@H]1C(C)(C)C 931589445 631125735 /nfs/dbraw/zinc/12/57/35/631125735.db2.gz CZLKJAFLYDGBME-SNVBAGLBSA-N 0 3 197.347 2.083 10 30 AEEEHN C#CCN1CCSC[C@H]1C(C)(C)C 931589437 631126010 /nfs/dbraw/zinc/12/60/10/631126010.db2.gz CZLKJAFLYDGBME-JTQLQIEISA-N 0 3 197.347 2.083 10 30 AEEEHN C=C(C)CCN1CCn2cccc2C1 932523904 631136033 /nfs/dbraw/zinc/13/60/33/631136033.db2.gz DMLYDWJDXUZYCW-UHFFFAOYSA-N 0 3 190.290 2.270 10 30 AEEEHN CC#CCN1CCC(F)(C2CC2)CC1 932626571 631134666 /nfs/dbraw/zinc/13/46/66/631134666.db2.gz JQGRLNLJYKVQOV-UHFFFAOYSA-N 0 3 195.281 2.224 10 30 AEEEHN C=CC[C@H](C)N1CCn2cccc2C1 932525876 631134848 /nfs/dbraw/zinc/13/48/48/631134848.db2.gz FUSXQTWGWSDMQI-NSHDSACASA-N 0 3 190.290 2.268 10 30 AEEEHN C=CC[C@@H](C)N1CCn2cccc2C1 932525869 631135796 /nfs/dbraw/zinc/13/57/96/631135796.db2.gz FUSXQTWGWSDMQI-LLVKDONJSA-N 0 3 190.290 2.268 10 30 AEEEHN C#CCC1(NCCC#N)CCCCC1 933267801 631139456 /nfs/dbraw/zinc/13/94/56/631139456.db2.gz ONYOAASPPCXXEF-UHFFFAOYSA-N 0 3 190.290 2.216 10 30 AEEEHN C=C(C)CN1CCOC[C@H]1CC1CC1 933204761 631139929 /nfs/dbraw/zinc/13/99/29/631139929.db2.gz VHHQXGNRNZNYBF-GFCCVEGCSA-N 0 3 195.306 2.063 10 30 AEEEHN C=C(C)CN1CCOC[C@@H]1CC1CC1 933204762 631140331 /nfs/dbraw/zinc/14/03/31/631140331.db2.gz VHHQXGNRNZNYBF-LBPRGKRZSA-N 0 3 195.306 2.063 10 30 AEEEHN C=CCCCN(CC)Cc1ccno1 934647320 631148763 /nfs/dbraw/zinc/14/87/63/631148763.db2.gz WXIAHTAHSMYASC-UHFFFAOYSA-N 0 3 194.278 2.463 10 30 AEEEHN C=CCCCN(CC)Cc1c[nH]cn1 934646173 631149402 /nfs/dbraw/zinc/14/94/02/631149402.db2.gz DQKZFMZTCMDYKH-UHFFFAOYSA-N 0 3 193.294 2.198 10 30 AEEEHN C#CCN(CC#C)CCCCCC 196752267 631158297 /nfs/dbraw/zinc/15/82/97/631158297.db2.gz WVDYLXZASGMTEL-UHFFFAOYSA-N 0 3 177.291 2.135 10 30 AEEEHN C=CC[C@H](C)N[C@H]1CCC[C@H]1C#N 252733052 631165991 /nfs/dbraw/zinc/16/59/91/631165991.db2.gz XPRLHTVXSVPVGX-DCAQKATOSA-N 0 3 178.279 2.233 10 30 AEEEHN C=CC[C@H](C)N[C@@H]1CCC[C@H]1C#N 252733053 631166383 /nfs/dbraw/zinc/16/63/83/631166383.db2.gz XPRLHTVXSVPVGX-GARJFASQSA-N 0 3 178.279 2.233 10 30 AEEEHN CCC[C@@H](C)N[C@H](C)CC#N 37871119 1224167536 /nfs/dbraw/zinc/16/75/36/1224167536.db2.gz CVCISEVLIPWHTR-RKDXNWHRSA-N 0 3 154.257 2.067 10 30 AEEEHN CCC[C@@H](C)N[C@@H](C)CC#N 37871117 1224167615 /nfs/dbraw/zinc/16/76/15/1224167615.db2.gz CVCISEVLIPWHTR-BDAKNGLRSA-N 0 3 154.257 2.067 10 30 AEEEHN CCC[C@H](C)N[C@H](C)CC#N 37871120 1224167695 /nfs/dbraw/zinc/16/76/95/1224167695.db2.gz CVCISEVLIPWHTR-DTWKUNHWSA-N 0 3 154.257 2.067 10 30 AEEEHN CCC[C@H](C)N[C@@H](C)CC#N 37871118 1224167732 /nfs/dbraw/zinc/16/77/32/1224167732.db2.gz CVCISEVLIPWHTR-IUCAKERBSA-N 0 3 154.257 2.067 10 30 AEEEHN C[C@H]1CCN1Cc1ccc(C#N)cc1 86681262 1224179673 /nfs/dbraw/zinc/17/96/73/1224179673.db2.gz FKNUZARYAAEHAR-JTQLQIEISA-N 0 3 186.258 2.152 10 30 AEEEHN C[C@@H]1CCN1Cc1ccc(C#N)cc1 86681261 1224179992 /nfs/dbraw/zinc/17/99/92/1224179992.db2.gz FKNUZARYAAEHAR-SNVBAGLBSA-N 0 3 186.258 2.152 10 30 AEEEHN C[C@@H](CC#N)N[C@H]1CCC(C)(C)C1 122355546 1224182575 /nfs/dbraw/zinc/18/25/75/1224182575.db2.gz NMCGUPKYCBCADT-UWVGGRQHSA-N 0 3 180.295 2.457 10 30 AEEEHN C[C@@H](CC#N)N[C@@H]1CCC(C)(C)C1 122355188 1224182642 /nfs/dbraw/zinc/18/26/42/1224182642.db2.gz NMCGUPKYCBCADT-VHSXEESVSA-N 0 3 180.295 2.457 10 30 AEEEHN CC[C@@H](CC#N)N1CC[C@@H](CC)C1 166194288 1224197786 /nfs/dbraw/zinc/19/77/86/1224197786.db2.gz OEPKJUGTRWGTQF-MNOVXSKESA-N 0 3 180.295 2.411 10 30 AEEEHN Cc1cc(C#N)ccc1CN1CCC1 306345177 1224255828 /nfs/dbraw/zinc/25/58/28/1224255828.db2.gz DFHPWZHYXIBRLY-UHFFFAOYSA-N 0 3 186.258 2.072 10 30 AEEEHN N#C[C@@H]1CCN(CC2CCCCC2)C1 606265333 1224347239 /nfs/dbraw/zinc/34/72/39/1224347239.db2.gz QKWXMVSKVGITHD-LBPRGKRZSA-N 0 3 192.306 2.412 10 30 AEEEHN N#C[C@H]1CCN(CC2CCCCC2)C1 606265332 1224348248 /nfs/dbraw/zinc/34/82/48/1224348248.db2.gz QKWXMVSKVGITHD-GFCCVEGCSA-N 0 3 192.306 2.412 10 30 AEEEHN C#CCCCCCN1CC[C@@H](F)C1 686684683 1224350167 /nfs/dbraw/zinc/35/01/67/1224350167.db2.gz CXGBHZLYUQMLIK-LLVKDONJSA-N 0 3 183.270 2.224 10 30 AEEEHN C#CCCCCCN1CC[C@H](F)C1 686684684 1224350232 /nfs/dbraw/zinc/35/02/32/1224350232.db2.gz CXGBHZLYUQMLIK-NSHDSACASA-N 0 3 183.270 2.224 10 30 AEEEHN C#CCN(CC#C)C[C@@H](C)C(C)(C)C 802640824 1224356186 /nfs/dbraw/zinc/35/61/86/1224356186.db2.gz QDJBEZNJTZQNDG-GFCCVEGCSA-N 0 3 191.318 2.237 10 30 AEEEHN C=C[C@H](C)NCc1csc(C#N)c1 921835075 1224364016 /nfs/dbraw/zinc/36/40/16/1224364016.db2.gz MPCAVODWSZOHEK-QMMMGPOBSA-N 0 3 192.287 2.284 10 30 AEEEHN C=C[C@@H](C)NCc1csc(C#N)c1 921835074 1224364088 /nfs/dbraw/zinc/36/40/88/1224364088.db2.gz MPCAVODWSZOHEK-MRVPVSSYSA-N 0 3 192.287 2.284 10 30 AEEEHN C=CCCCNCc1cscn1 388488388 538432938 /nfs/dbraw/zinc/43/29/38/538432938.db2.gz DZKAHPUQHVXXDX-UHFFFAOYSA-N 0 3 182.292 2.199 10 30 AEEEHN